N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide

C23H27N3O2 — CID 166197699

IUPACN-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)C1CCCN1C(=O)C1CCCC1
InChIInChI=1S/C23H27N3O2/c27-22(21-11-6-16-26(21)23(28)17-7-4-5-8-17)25-20-14-12-19(13-15-20)24-18-9-2-1-3-10-18/h1-3,9-10,12-15,17,21,24H,4-8,11,16H2,(H,25,27)
InChIKeyYYRDLWWYBDFQNZ-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.55
Rot. Bonds5

About N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide

N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide (PubChem CID 166197699) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide
PubChem CID166197699
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)C1CCCN1C(=O)C1CCCC1
InChIInChI=1S/C23H27N3O2/c27-22(21-11-6-16-26(21)23(28)17-7-4-5-8-17)25-20-14-12-19(13-15-20)24-18-9-2-1-3-10-18/h1-3,9-10,12-15,17,21,24H,4-8,11,16H2,(H,25,27)
InChIKeyYYRDLWWYBDFQNZ-UHFFFAOYSA-N
XLogP4.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
N-(3-bromophenyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 55741021
(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201
(2R)-1-N-(4-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1445832
2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814809
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007
1-(cyclohexanecarbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 55741414
(2S)-N-[5-(cyclopentanecarbonylamino)-2-methylphenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 131898261
(2S)-1-(cyclohexanecarbonyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 51951158
tert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate
CID 52774591
1-(cyclohexanecarbonyl)-N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 55762135
(2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 22809937

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide (CID 166197699) is N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(Nc2ccccc2)cc1)C1CCCN1C(=O)C1CCCC1.
What is the InChIKey of N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide?
The InChIKey is YYRDLWWYBDFQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22(21-11-6-16-26(21)23(28)17-7-4-5-8-17)25-20-14-12-19(13-15-20)24-18-9-2-1-3-10-18/h1-3,9-10,12-15,17,21,24H,4-8,11,16H2,(H,25,27).
What are the key properties of N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide?
N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 166197699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).