(2S)-N-[(3-chlorophenyl)methyl]-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide

C20H27ClN2O2 — CID 45141361

IUPAC(2S)-N-[(3-chlorophenyl)methyl]-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)[C@@H]1CCCN1C(=O)CCC1CCCC1
InChIInChI=1S/C20H27ClN2O2/c21-17-8-3-7-16(13-17)14-22-20(25)18-9-4-12-23(18)19(24)11-10-15-5-1-2-6-15/h3,7-8,13,15,18H,1-2,4-6,9-12,14H2,(H,22,25)/t18-/m0/s1
InChIKeyOMKGSAFABROOEP-SFHVURJKSA-N
MW362.90 g/mol
LogP3.92
Rot. Bonds6

About (2S)-N-[(3-chlorophenyl)methyl]-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide

(2S)-N-[(3-chlorophenyl)methyl]-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide (PubChem CID 45141361) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is (2S)-N-[(3-chlorophenyl)methyl]-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3-chlorophenyl)methyl]-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide
PubChem CID45141361
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name(2S)-N-[(3-chlorophenyl)methyl]-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)[C@@H]1CCCN1C(=O)CCC1CCCC1
InChIInChI=1S/C20H27ClN2O2/c21-17-8-3-7-16(13-17)14-22-20(25)18-9-4-12-23(18)19(24)11-10-15-5-1-2-6-15/h3,7-8,13,15,18H,1-2,4-6,9-12,14H2,(H,22,25)/t18-/m0/s1
InChIKeyOMKGSAFABROOEP-SFHVURJKSA-N
XLogP3.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(3-chlorophenyl)methyl]-1-[(6S)-6-cyano-7-methyl-6-phenyloctanoyl]pyrrolidine-2-carboxamide
CID 70053809
(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 45140191
(2S)-1-[(2R)-2-amino-2-cyclohexylethyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 118736074
(2S)-N-[(4-chlorophenyl)methyl]-1-[2-(3-methylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 146357876
(2S)-2-[[(2S)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
CID 177472107
(2S)-1-[(2S)-2-(benzylsulfamoylamino)-4-methylpentanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 86763387
N-[(3-chlorophenyl)methyl]-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134803976
(2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide
CID 110286101
N-[(3,4-dihydroxyphenyl)methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 136521380
N-[(3-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170578293
methyl 4-[4-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate
CID 26325736
(2S)-N-[(3-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 95595336

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-chlorophenyl)methyl]-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(3-chlorophenyl)methyl]-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide (CID 45141361) is (2S)-N-[(3-chlorophenyl)methyl]-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3-chlorophenyl)methyl]-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(3-chlorophenyl)methyl]-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide is O=C(NCc1cccc(Cl)c1)[C@@H]1CCCN1C(=O)CCC1CCCC1.
What is the InChIKey of (2S)-N-[(3-chlorophenyl)methyl]-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide?
The InChIKey is OMKGSAFABROOEP-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27ClN2O2/c21-17-8-3-7-16(13-17)14-22-20(25)18-9-4-12-23(18)19(24)11-10-15-5-1-2-6-15/h3,7-8,13,15,18H,1-2,4-6,9-12,14H2,(H,22,25)/t18-/m0/s1.
What are the key properties of (2S)-N-[(3-chlorophenyl)methyl]-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide?
(2S)-N-[(3-chlorophenyl)methyl]-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 362.90 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-chlorophenyl)methyl]-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 45141361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).