(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]pyrrolidine-3-carboxamide

C22H25ClN2O2 — CID 9352164

IUPAC(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)N[C@H](C)CCc3ccccc3)CC2=O)cc1Cl
InChIInChI=1S/C22H25ClN2O2/c1-15-8-11-19(13-20(15)23)25-14-18(12-21(25)26)22(27)24-16(2)9-10-17-6-4-3-5-7-17/h3-8,11,13,16,18H,9-10,12,14H2,1-2H3,(H,24,27)/t16-,18-/m1/s1
InChIKeyINXTZIVJMDPTBV-SJLPKXTDSA-N
MW384.91 g/mol
LogP4.14
Rot. Bonds6

About (3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]pyrrolidine-3-carboxamide

(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]pyrrolidine-3-carboxamide (PubChem CID 9352164) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is (3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]pyrrolidine-3-carboxamide
PubChem CID9352164
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)N[C@H](C)CCc3ccccc3)CC2=O)cc1Cl
InChIInChI=1S/C22H25ClN2O2/c1-15-8-11-19(13-20(15)23)25-14-18(12-21(25)26)22(27)24-16(2)9-10-17-6-4-3-5-7-17/h3-8,11,13,16,18H,9-10,12,14H2,1-2H3,(H,24,27)/t16-,18-/m1/s1
InChIKeyINXTZIVJMDPTBV-SJLPKXTDSA-N
XLogP4.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[(2S)-butan-2-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393073
N-butan-2-yl-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082340
(3S)-1-(2,3-dimethylphenyl)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]pyrrolidine-3-carboxamide
CID 35509762
1-(3-chloro-4-methylphenyl)-N-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113187806
N-butan-2-yl-1-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187980
1-(3-chloro-4-methylphenyl)-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 17080898
(3R)-N-tert-butyl-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7438206
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9392169
(3R)-1-(3-chloro-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7325501
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9067807
(3S)-N-(2-bromophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7449865
(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075786

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]pyrrolidine-3-carboxamide (CID 9352164) is (3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]pyrrolidine-3-carboxamide is Cc1ccc(N2C[C@H](C(=O)N[C@H](C)CCc3ccccc3)CC2=O)cc1Cl.
What is the InChIKey of (3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is INXTZIVJMDPTBV-SJLPKXTDSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-15-8-11-19(13-20(15)23)25-14-18(12-21(25)26)22(27)24-16(2)9-10-17-6-4-3-5-7-17/h3-8,11,13,16,18H,9-10,12,14H2,1-2H3,(H,24,27)/t16-,18-/m1/s1.
What are the key properties of (3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]pyrrolidine-3-carboxamide?
(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 9352164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).