(2R)-N-[2-(4-methylanilino)phenyl]-5-oxopyrrolidine-2-carboxamide

C18H19N3O2 — CID 166390943

IUPAC(2R)-N-[2-(4-methylanilino)phenyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(Nc2ccccc2NC(=O)[C@H]2CCC(=O)N2)cc1
InChIInChI=1S/C18H19N3O2/c1-12-6-8-13(9-7-12)19-14-4-2-3-5-15(14)21-18(23)16-10-11-17(22)20-16/h2-9,16,19H,10-11H2,1H3,(H,20,22)(H,21,23)/t16-/m1/s1
InChIKeyBIQNBZQIUINMKK-MRXNPFEDSA-N
MW309.37 g/mol
LogP2.96
Rot. Bonds4

About (2R)-N-[2-(4-methylanilino)phenyl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-[2-(4-methylanilino)phenyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 166390943) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2R)-N-[2-(4-methylanilino)phenyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-methylanilino)phenyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID166390943
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(2R)-N-[2-(4-methylanilino)phenyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(Nc2ccccc2NC(=O)[C@H]2CCC(=O)N2)cc1
InChIInChI=1S/C18H19N3O2/c1-12-6-8-13(9-7-12)19-14-4-2-3-5-15(14)21-18(23)16-10-11-17(22)20-16/h2-9,16,19H,10-11H2,1H3,(H,20,22)(H,21,23)/t16-/m1/s1
InChIKeyBIQNBZQIUINMKK-MRXNPFEDSA-N
XLogP2.96
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 42909016
2-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 113265030
N-[2-(4-methylanilino)phenyl]acetamide
CID 21106134
N-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 64882512
2-hydroxy-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid
CID 114039518
N'-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide
CID 155813594
N-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 43806476
N-(2-imidazol-1-ylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110471752
N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792509
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 71943341
N-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 42889996
(2R)-N-[2-(4-ethoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 39971968

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-methylanilino)phenyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-(4-methylanilino)phenyl]-5-oxopyrrolidine-2-carboxamide (CID 166390943) is (2R)-N-[2-(4-methylanilino)phenyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(4-methylanilino)phenyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(4-methylanilino)phenyl]-5-oxopyrrolidine-2-carboxamide is Cc1ccc(Nc2ccccc2NC(=O)[C@H]2CCC(=O)N2)cc1.
What is the InChIKey of (2R)-N-[2-(4-methylanilino)phenyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is BIQNBZQIUINMKK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-6-8-13(9-7-12)19-14-4-2-3-5-15(14)21-18(23)16-10-11-17(22)20-16/h2-9,16,19H,10-11H2,1H3,(H,20,22)(H,21,23)/t16-/m1/s1.
What are the key properties of (2R)-N-[2-(4-methylanilino)phenyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[2-(4-methylanilino)phenyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-methylanilino)phenyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 166390943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).