4-[[(2S)-2-(4-chlorophenyl)-5-oxo-1-phenyl-2H-pyrrol-4-yl]amino]-2-hydroxybenzoic acid

C23H17ClN2O4 — CID 29012168

IUPAC4-[[(2S)-2-(4-chlorophenyl)-5-oxo-1-phenyl-2H-pyrrol-4-yl]amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NC2=C[C@@H](c3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1O
InChIInChI=1S/C23H17ClN2O4/c24-15-8-6-14(7-9-15)20-13-19(22(28)26(20)17-4-2-1-3-5-17)25-16-10-11-18(23(29)30)21(27)12-16/h1-13,20,25,27H,(H,29,30)/t20-/m0/s1
InChIKeyDLYTUOOCTYXYNW-FQEVSTJZSA-N
MW420.85 g/mol
LogP4.83
Rot. Bonds5

About 4-[[(2S)-2-(4-chlorophenyl)-5-oxo-1-phenyl-2H-pyrrol-4-yl]amino]-2-hydroxybenzoic acid

4-[[(2S)-2-(4-chlorophenyl)-5-oxo-1-phenyl-2H-pyrrol-4-yl]amino]-2-hydroxybenzoic acid (PubChem CID 29012168) has the molecular formula C23H17ClN2O4 and a molecular weight of 420.85 g/mol. Its IUPAC name is 4-[[(2S)-2-(4-chlorophenyl)-5-oxo-1-phenyl-2H-pyrrol-4-yl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[[(2S)-2-(4-chlorophenyl)-5-oxo-1-phenyl-2H-pyrrol-4-yl]amino]-2-hydroxybenzoic acid
PubChem CID29012168
Molecular FormulaC23H17ClN2O4
Molecular Weight420.85 g/mol
Exact Mass420.09
IUPAC Name4-[[(2S)-2-(4-chlorophenyl)-5-oxo-1-phenyl-2H-pyrrol-4-yl]amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NC2=C[C@@H](c3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1O
InChIInChI=1S/C23H17ClN2O4/c24-15-8-6-14(7-9-15)20-13-19(22(28)26(20)17-4-2-1-3-5-17)25-16-10-11-18(23(29)30)21(27)12-16/h1-13,20,25,27H,(H,29,30)/t20-/m0/s1
InChIKeyDLYTUOOCTYXYNW-FQEVSTJZSA-N
XLogP4.83
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.85
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-anilino-2-(4-hydroxy-3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one
CID 1121145
ethyl 4-(4-chloroanilino)-1-(4-chlorophenyl)-5-oxo-2H-pyrrole-2-carboxylate
CID 11552885
2-(4-bromophenyl)-4-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 3729204
2-[(2R,3S)-2-(4-chlorophenyl)-4,5-dioxo-1-phenylpyrrolidin-3-yl]acetic acid
CID 7408960
(2R)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 1075189
(3S,4R)-4-(4-chlorophenyl)-1,3-diphenylazetidin-2-one
CID 71385795
(2R)-4-(4-ethoxyanilino)-1-(4-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 124529529
2-(3-hydroxyphenyl)-4-(4-methylanilino)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 70965380
4-[3-chloro-2-(4-fluorophenyl)-4-oxoazetidin-1-yl]-2-hydroxybenzoic acid
CID 86575464
5-[(3Z)-2-(4-chlorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid
CID 17036859
2-(1,3-benzodioxol-5-yl)-4-(4-methylanilino)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 4693509
4-(3-aminobenzoyl)-5-(4-chlorophenyl)-1-phenylpyrrolidine-2,3-dione
CID 123294023

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-(4-chlorophenyl)-5-oxo-1-phenyl-2H-pyrrol-4-yl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[[(2S)-2-(4-chlorophenyl)-5-oxo-1-phenyl-2H-pyrrol-4-yl]amino]-2-hydroxybenzoic acid (CID 29012168) is 4-[[(2S)-2-(4-chlorophenyl)-5-oxo-1-phenyl-2H-pyrrol-4-yl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[[(2S)-2-(4-chlorophenyl)-5-oxo-1-phenyl-2H-pyrrol-4-yl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[[(2S)-2-(4-chlorophenyl)-5-oxo-1-phenyl-2H-pyrrol-4-yl]amino]-2-hydroxybenzoic acid is O=C(O)c1ccc(NC2=C[C@@H](c3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1O.
What is the InChIKey of 4-[[(2S)-2-(4-chlorophenyl)-5-oxo-1-phenyl-2H-pyrrol-4-yl]amino]-2-hydroxybenzoic acid?
The InChIKey is DLYTUOOCTYXYNW-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H17ClN2O4/c24-15-8-6-14(7-9-15)20-13-19(22(28)26(20)17-4-2-1-3-5-17)25-16-10-11-18(23(29)30)21(27)12-16/h1-13,20,25,27H,(H,29,30)/t20-/m0/s1.
What are the key properties of 4-[[(2S)-2-(4-chlorophenyl)-5-oxo-1-phenyl-2H-pyrrol-4-yl]amino]-2-hydroxybenzoic acid?
4-[[(2S)-2-(4-chlorophenyl)-5-oxo-1-phenyl-2H-pyrrol-4-yl]amino]-2-hydroxybenzoic acid has a molecular weight of 420.85 g/mol, XLogP of 4.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-(4-chlorophenyl)-5-oxo-1-phenyl-2H-pyrrol-4-yl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 29012168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).