N-(3-chloro-2-methylphenyl)-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C21H23ClN2O2 — CID 113186614

IUPACN-(3-chloro-2-methylphenyl)-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1CC(=O)N(c2ccccc2C(C)C)C1
InChIInChI=1S/C21H23ClN2O2/c1-13(2)16-7-4-5-10-19(16)24-12-15(11-20(24)25)21(26)23-18-9-6-8-17(22)14(18)3/h4-10,13,15H,11-12H2,1-3H3,(H,23,26)
InChIKeyBNFVSVXKNLVHQV-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.76
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide

N-(3-chloro-2-methylphenyl)-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 113186614) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID113186614
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC NameN-(3-chloro-2-methylphenyl)-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1CC(=O)N(c2ccccc2C(C)C)C1
InChIInChI=1S/C21H23ClN2O2/c1-13(2)16-7-4-5-10-19(16)24-12-15(11-20(24)25)21(26)23-18-9-6-8-17(22)14(18)3/h4-10,13,15H,11-12H2,1-3H3,(H,23,26)
InChIKeyBNFVSVXKNLVHQV-UHFFFAOYSA-N
XLogP4.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30845832
(3S)-N-(3-chloro-2-methylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41133153
1-(3-chloro-2-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187521
(3R)-N-(3-chloro-2-methylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7456585
(3S)-1-(3-chloro-2-methylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1233393
1-(3-chloro-2-methylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2932312
(3S)-1-(3-chloro-2-methylphenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056265
methyl 2-[[5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 113186640
(3R)-1-(3-chloro-2-methylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056272
(3S)-N-(3-chloro-2-methylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9005208
N-(3-chloro-2-methylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84916553
N-(2-tert-butylphenyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187522

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 113186614) is N-(3-chloro-2-methylphenyl)-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide is Cc1c(Cl)cccc1NC(=O)C1CC(=O)N(c2ccccc2C(C)C)C1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is BNFVSVXKNLVHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-13(2)16-7-4-5-10-19(16)24-12-15(11-20(24)25)21(26)23-18-9-6-8-17(22)14(18)3/h4-10,13,15H,11-12H2,1-3H3,(H,23,26).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
N-(3-chloro-2-methylphenyl)-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113186614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).