1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide

C24H26N2O2 — CID 23647179

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2ccccc2)c1)C1CC(=O)N(C2CC3CCC2C3)C1
InChIInChI=1S/C24H26N2O2/c27-23-14-20(15-26(23)22-12-16-9-10-19(22)11-16)24(28)25-21-8-4-7-18(13-21)17-5-2-1-3-6-17/h1-8,13,16,19-20,22H,9-12,14-15H2,(H,25,28)
InChIKeyLDQTVSTXBDCFCN-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.33
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide

1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide (PubChem CID 23647179) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide
PubChem CID23647179
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2ccccc2)c1)C1CC(=O)N(C2CC3CCC2C3)C1
InChIInChI=1S/C24H26N2O2/c27-23-14-20(15-26(23)22-12-16-9-10-19(22)11-16)24(28)25-21-8-4-7-18(13-21)17-5-2-1-3-6-17/h1-8,13,16,19-20,22H,9-12,14-15H2,(H,25,28)
InChIKeyLDQTVSTXBDCFCN-UHFFFAOYSA-N
XLogP4.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2844150
3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-N-(2-ethylphenyl)propanamide
CID 3776698
N-(3-benzylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 16072556
N-([1,1'-Biphenyl]-3-yl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 16072557
1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3354062
N-cycloheptyl-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4877606
N-(2,4-dimethylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 4879485
N-(4-fluorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 16312902
N-[4-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 612869
ST014790
CID 2883757
1-cyclohexyl-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 16077255
1-cyclohexyl-N-(3-isobutylphenyl)-5-oxo-pyrrolidine-3-carboxamide
CID 16077256

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide (CID 23647179) is 1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide is O=C(Nc1cccc(-c2ccccc2)c1)C1CC(=O)N(C2CC3CCC2C3)C1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is LDQTVSTXBDCFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c27-23-14-20(15-26(23)22-12-16-9-10-19(22)11-16)24(28)25-21-8-4-7-18(13-21)17-5-2-1-3-6-17/h1-8,13,16,19-20,22H,9-12,14-15H2,(H,25,28).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide?
1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 23647179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).