N-butan-2-yl-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C16H21ClN2O2 — CID 113187561

IUPACN-butan-2-yl-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CC(=O)N(c2cc(Cl)ccc2C)C1
InChIInChI=1S/C16H21ClN2O2/c1-4-11(3)18-16(21)12-7-15(20)19(9-12)14-8-13(17)6-5-10(14)2/h5-6,8,11-12H,4,7,9H2,1-3H3,(H,18,21)
InChIKeyOANHHLIVHIYMGQ-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.92
Rot. Bonds4

About N-butan-2-yl-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-butan-2-yl-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113187561) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-butan-2-yl-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113187561
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC NameN-butan-2-yl-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CC(=O)N(c2cc(Cl)ccc2C)C1
InChIInChI=1S/C16H21ClN2O2/c1-4-11(3)18-16(21)12-7-15(20)19(9-12)14-8-13(17)6-5-10(14)2/h5-6,8,11-12H,4,7,9H2,1-3H3,(H,18,21)
InChIKeyOANHHLIVHIYMGQ-UHFFFAOYSA-N
XLogP2.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[(2R)-butan-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9350964
(3R)-N-[(2S)-butan-2-yl]-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124750296
(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
N-butan-2-yl-1-(5-chloro-2-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46744134
ethyl (3S)-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075793
(3R)-N-[(2R)-butan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 27210673
1-(5-chloro-2-methylphenyl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187608
1-(4-bromo-3-methylphenyl)-N-butan-2-yl-5-oxopyrrolidine-3-carboxamide
CID 113190392
1-(5-chloro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187572
(3S)-1-(5-chloro-2-methylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 51698555
N-(4-acetylphenyl)-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187647

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-butan-2-yl-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 113187561) is N-butan-2-yl-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CCC(C)NC(=O)C1CC(=O)N(c2cc(Cl)ccc2C)C1.
What is the InChIKey of N-butan-2-yl-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OANHHLIVHIYMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-4-11(3)18-16(21)12-7-15(20)19(9-12)14-8-13(17)6-5-10(14)2/h5-6,8,11-12H,4,7,9H2,1-3H3,(H,18,21).
What are the key properties of N-butan-2-yl-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-butan-2-yl-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 308.81 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113187561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).