(3R)-1-(4-chlorophenyl)-N-[(2S)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide

C19H27ClN2O2 — CID 9391280

IUPAC(3R)-1-(4-chlorophenyl)-N-[(2S)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCC[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H27ClN2O2/c1-13(2)5-4-6-14(3)21-19(24)15-11-18(23)22(12-15)17-9-7-16(20)8-10-17/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,21,24)/t14-,15+/m0/s1
InChIKeyIAVQTVCOUGPMHG-LSDHHAIUSA-N
MW350.89 g/mol
LogP4.02
Rot. Bonds7

About (3R)-1-(4-chlorophenyl)-N-[(2S)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(4-chlorophenyl)-N-[(2S)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 9391280) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is (3R)-1-(4-chlorophenyl)-N-[(2S)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-chlorophenyl)-N-[(2S)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID9391280
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name(3R)-1-(4-chlorophenyl)-N-[(2S)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCC[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H27ClN2O2/c1-13(2)5-4-6-14(3)21-19(24)15-11-18(23)22(12-15)17-9-7-16(20)8-10-17/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,21,24)/t14-,15+/m0/s1
InChIKeyIAVQTVCOUGPMHG-LSDHHAIUSA-N
XLogP4.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-N-(6-methylheptan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17309378
(3S)-1-(4-chlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 774003
(3S)-1-(4-chlorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 774264
(2S)-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119238025
(3R)-1-(4-chlorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 684343
N-(1-aminohexan-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119668556
N-heptan-2-yl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687120
2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-hydroxypropanoic acid
CID 108800085
(3S)-1-(4-chlorophenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 9391631
N-butan-2-yl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2926634
(3S)-N-[(2S)-butan-2-yl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084262
1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 4002741

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chlorophenyl)-N-[(2S)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-chlorophenyl)-N-[(2S)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 9391280) is (3R)-1-(4-chlorophenyl)-N-[(2S)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-chlorophenyl)-N-[(2S)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-chlorophenyl)-N-[(2S)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide is CC(C)CCC[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of (3R)-1-(4-chlorophenyl)-N-[(2S)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IAVQTVCOUGPMHG-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-13(2)5-4-6-14(3)21-19(24)15-11-18(23)22(12-15)17-9-7-16(20)8-10-17/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,21,24)/t14-,15+/m0/s1.
What are the key properties of (3R)-1-(4-chlorophenyl)-N-[(2S)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-chlorophenyl)-N-[(2S)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 350.89 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chlorophenyl)-N-[(2S)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9391280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).