N-[(3R)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide

C24H33FN2O — CID 59915868

IUPACN-[(3R)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide
SMILESCN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1CCN(CCc2ccc(F)cc2)C1
InChIInChI=1S/C24H33FN2O/c1-26(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/h2-5,18-20,22H,6-16H2,1H3/t18?,19?,20?,22-,24?/m1/s1
InChIKeyCKCGHSPFDYQUIS-GPUVRGFBSA-N
MW384.54 g/mol
LogP4.12
Rot. Bonds5

About N-[(3R)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide

N-[(3R)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide (PubChem CID 59915868) has the molecular formula C24H33FN2O and a molecular weight of 384.54 g/mol. Its IUPAC name is N-[(3R)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide
PubChem CID59915868
Molecular FormulaC24H33FN2O
Molecular Weight384.54 g/mol
Exact Mass384.26
IUPAC NameN-[(3R)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide
SMILESCN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1CCN(CCc2ccc(F)cc2)C1
InChIInChI=1S/C24H33FN2O/c1-26(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/h2-5,18-20,22H,6-16H2,1H3/t18?,19?,20?,22-,24?/m1/s1
InChIKeyCKCGHSPFDYQUIS-GPUVRGFBSA-N
XLogP4.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide
CID 18411925
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
N-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide
CID 22888129
N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]adamantane-1-sulfonamide
CID 18411818
1-(4-fluorophenyl)-2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethanone
CID 10360079
N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclobutanamine
CID 26392696
4-[2-(4-fluorophenyl)ethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110290641
N-[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide;hydrate;hydrochloride
CID 70172047
N'-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
CID 42404091
1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 84589032
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide
CID 45179371
(3S)-1-[2-(4-fluorophenyl)ethyl]-3-methylpiperazine
CID 68527749

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide?
The IUPAC name of N-[(3R)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide (CID 59915868) is N-[(3R)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide.
What is the SMILES notation for N-[(3R)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide?
The canonical SMILES for N-[(3R)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide is CN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1CCN(CCc2ccc(F)cc2)C1.
What is the InChIKey of N-[(3R)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide?
The InChIKey is CKCGHSPFDYQUIS-GPUVRGFBSA-N. The full InChI is InChI=1S/C24H33FN2O/c1-26(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/h2-5,18-20,22H,6-16H2,1H3/t18?,19?,20?,22-,24?/m1/s1.
What are the key properties of N-[(3R)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide?
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide has a molecular weight of 384.54 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide is sourced from PubChem (CID 59915868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).