N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide;N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-phenyladamantane-1-carboxamide;N-methyl-N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide;N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide

C146H185F3N12O6 — CID 161444610

IUPACN-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide;N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-phenyladamantane-1-carboxamide;N-methyl-N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide;N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide
SMILESCN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1CCN(CCc2ccc(F)cc2)C1.CN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1CCN(CCc2ccccc2)C1.O=C(N(c1ccccc1)C1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2.O=C(N(c1ccccc1)C1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2.O=C(N[C@H]1CCN(CCc2ccc(F)cc2)C1)C1C2C=CC1C=C2.O=C(N[C@H]1CCN(CCc2ccccc2)C1)C1C2C=CC1C=C2
InChIInChI=1S/C29H35FN2O.C29H36N2O.C24H33FN2O.C24H34N2O.C20H23FN2O.C20H24N2O/c30-25-8-6-21(7-9-25)10-12-31-13-11-27(20-31)32(26-4-2-1-3-5-26)28(33)29-17-22-14-23(18-29)16-24(15-22)19-29;32-28(29-18-23-15-24(19-29)17-25(16-23)20-29)31(26-9-5-2-6-10-26)27-12-14-30(21-27)13-11-22-7-3-1-4-8-22;1-26(23(28)24-13-18-10-19(14-24)12-20(11-18)15-24)22-7-9-27(16-22)8-6-17-2-4-21(25)5-3-17;1-25(22-8-10-26(17-22)9-7-18-5-3-2-4-6-18)23(27)24-14-19-11-20(15-24)13-21(12-19)16-24;21-17-7-1-14(2-8-17)9-11-23-12-10-18(13-23)22-20(24)19-15-3-4-16(19)6-5-15;23-20(19-16-6-7-17(19)9-8-16)21-18-11-13-22(14-18)12-10-15-4-2-1-3-5-15/h1-9,22-24,27H,10-20H2;1-10,23-25,27H,11-21H2;2-5,18-20,22H,6-16H2,1H3;2-6,19-22H,7-17H2,1H3;1-8,15-16,18-19H,9-13H2,(H,22,24);1-9,16-19H,10-14H2,(H,21,23)/t;;18?,19?,20?,22-,24?;19?,20?,21?,22-,24?;15?,16?,18-,19?;16?,17?,18-,19?/m..0000/s1
InChIKeyVZSPNYQWJAYKQP-MTHZGVLLSA-N
MW2261.16 g/mol
LogP24.30
Rot. Bonds32

About N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide;N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-phenyladamantane-1-carboxamide;N-methyl-N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide;N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide

N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide;N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-phenyladamantane-1-carboxamide;N-methyl-N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide;N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide (PubChem CID 161444610) has the molecular formula C146H185F3N12O6 and a molecular weight of 2261.16 g/mol. Its IUPAC name is N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide;N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-phenyladamantane-1-carboxamide;N-methyl-N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide;N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide;N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-phenyladamantane-1-carboxamide;N-methyl-N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide;N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide
PubChem CID161444610
Molecular FormulaC146H185F3N12O6
Molecular Weight2261.16 g/mol
Exact Mass2259.45
IUPAC NameN-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide;N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-phenyladamantane-1-carboxamide;N-methyl-N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide;N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide
SMILESCN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1CCN(CCc2ccc(F)cc2)C1.CN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1CCN(CCc2ccccc2)C1.O=C(N(c1ccccc1)C1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2.O=C(N(c1ccccc1)C1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2.O=C(N[C@H]1CCN(CCc2ccc(F)cc2)C1)C1C2C=CC1C=C2.O=C(N[C@H]1CCN(CCc2ccccc2)C1)C1C2C=CC1C=C2
InChIInChI=1S/C29H35FN2O.C29H36N2O.C24H33FN2O.C24H34N2O.C20H23FN2O.C20H24N2O/c30-25-8-6-21(7-9-25)10-12-31-13-11-27(20-31)32(26-4-2-1-3-5-26)28(33)29-17-22-14-23(18-29)16-24(15-22)19-29;32-28(29-18-23-15-24(19-29)17-25(16-23)20-29)31(26-9-5-2-6-10-26)27-12-14-30(21-27)13-11-22-7-3-1-4-8-22;1-26(23(28)24-13-18-10-19(14-24)12-20(11-18)15-24)22-7-9-27(16-22)8-6-17-2-4-21(25)5-3-17;1-25(22-8-10-26(17-22)9-7-18-5-3-2-4-6-18)23(27)24-14-19-11-20(15-24)13-21(12-19)16-24;21-17-7-1-14(2-8-17)9-11-23-12-10-18(13-23)22-20(24)19-15-3-4-16(19)6-5-15;23-20(19-16-6-7-17(19)9-8-16)21-18-11-13-22(14-18)12-10-15-4-2-1-3-5-15/h1-9,22-24,27H,10-20H2;1-10,23-25,27H,11-21H2;2-5,18-20,22H,6-16H2,1H3;2-6,19-22H,7-17H2,1H3;1-8,15-16,18-19H,9-13H2,(H,22,24);1-9,16-19H,10-14H2,(H,21,23)/t;;18?,19?,20?,22-,24?;19?,20?,21?,22-,24?;15?,16?,18-,19?;16?,17?,18-,19?/m..0000/s1
InChIKeyVZSPNYQWJAYKQP-MTHZGVLLSA-N
XLogP24.30
TPSA158.88 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds32
Heavy Atoms167
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002261.16
LogP ≤ 524.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide;N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-phenyladamantane-1-carboxamide;N-methyl-N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide;N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide;N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-phenyladamantane-1-carboxamide;N-methyl-N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide;N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide?
The IUPAC name of N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide;N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-phenyladamantane-1-carboxamide;N-methyl-N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide;N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide (CID 161444610) is N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide;N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-phenyladamantane-1-carboxamide;N-methyl-N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide;N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide;N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-phenyladamantane-1-carboxamide;N-methyl-N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide;N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide;N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-phenyladamantane-1-carboxamide;N-methyl-N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide;N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide is CN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1CCN(CCc2ccc(F)cc2)C1.CN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1CCN(CCc2ccccc2)C1.O=C(N(c1ccccc1)C1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2.O=C(N(c1ccccc1)C1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2.O=C(N[C@H]1CCN(CCc2ccc(F)cc2)C1)C1C2C=CC1C=C2.O=C(N[C@H]1CCN(CCc2ccccc2)C1)C1C2C=CC1C=C2.
What is the InChIKey of N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide;N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-phenyladamantane-1-carboxamide;N-methyl-N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide;N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide?
The InChIKey is VZSPNYQWJAYKQP-MTHZGVLLSA-N. The full InChI is InChI=1S/C29H35FN2O.C29H36N2O.C24H33FN2O.C24H34N2O.C20H23FN2O.C20H24N2O/c30-25-8-6-21(7-9-25)10-12-31-13-11-27(20-31)32(26-4-2-1-3-5-26)28(33)29-17-22-14-23(18-29)16-24(15-22)19-29;32-28(29-18-23-15-24(19-29)17-25(16-23)20-29)31(26-9-5-2-6-10-26)27-12-14-30(21-27)13-11-22-7-3-1-4-8-22;1-26(23(28)24-13-18-10-19(14-24)12-20(11-18)15-24)22-7-9-27(16-22)8-6-17-2-4-21(25)5-3-17;1-25(22-8-10-26(17-22)9-7-18-5-3-2-4-6-18)23(27)24-14-19-11-20(15-24)13-21(12-19)16-24;21-17-7-1-14(2-8-17)9-11-23-12-10-18(13-23)22-20(24)19-15-3-4-16(19)6-5-15;23-20(19-16-6-7-17(19)9-8-16)21-18-11-13-22(14-18)12-10-15-4-2-1-3-5-15/h1-9,22-24,27H,10-20H2;1-10,23-25,27H,11-21H2;2-5,18-20,22H,6-16H2,1H3;2-6,19-22H,7-17H2,1H3;1-8,15-16,18-19H,9-13H2,(H,22,24);1-9,16-19H,10-14H2,(H,21,23)/t;;18?,19?,20?,22-,24?;19?,20?,21?,22-,24?;15?,16?,18-,19?;16?,17?,18-,19?/m..0000/s1.
What are the key properties of N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide;N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-phenyladamantane-1-carboxamide;N-methyl-N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide;N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide?
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide;N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-phenyladamantane-1-carboxamide;N-methyl-N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide;N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide has a molecular weight of 2261.16 g/mol, XLogP of 24.30, 32 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide;N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-phenyladamantane-1-carboxamide;N-methyl-N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide;N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide is sourced from PubChem (CID 161444610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).