8-[(4-chlorobenzoyl)amino]-6-(3-hydroxyphenyl)-4-oxochromene-2-carboxylic acid

C23H14ClNO6 — CID 142544339

IUPAC8-[(4-chlorobenzoyl)amino]-6-(3-hydroxyphenyl)-4-oxochromene-2-carboxylic acid
SMILESO=C(Nc1cc(-c2cccc(O)c2)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)cc1
InChIInChI=1S/C23H14ClNO6/c24-15-6-4-12(5-7-15)22(28)25-18-10-14(13-2-1-3-16(26)8-13)9-17-19(27)11-20(23(29)30)31-21(17)18/h1-11,26H,(H,25,28)(H,29,30)
InChIKeyPSZHDGBILVSFPA-UHFFFAOYSA-N
MW435.82 g/mol
LogP4.77
Rot. Bonds4

About 8-[(4-chlorobenzoyl)amino]-6-(3-hydroxyphenyl)-4-oxochromene-2-carboxylic acid

8-[(4-chlorobenzoyl)amino]-6-(3-hydroxyphenyl)-4-oxochromene-2-carboxylic acid (PubChem CID 142544339) has the molecular formula C23H14ClNO6 and a molecular weight of 435.82 g/mol. Its IUPAC name is 8-[(4-chlorobenzoyl)amino]-6-(3-hydroxyphenyl)-4-oxochromene-2-carboxylic acid.

Molecular Properties

Compound Name8-[(4-chlorobenzoyl)amino]-6-(3-hydroxyphenyl)-4-oxochromene-2-carboxylic acid
PubChem CID142544339
Molecular FormulaC23H14ClNO6
Molecular Weight435.82 g/mol
Exact Mass435.05
IUPAC Name8-[(4-chlorobenzoyl)amino]-6-(3-hydroxyphenyl)-4-oxochromene-2-carboxylic acid
SMILESO=C(Nc1cc(-c2cccc(O)c2)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)cc1
InChIInChI=1S/C23H14ClNO6/c24-15-6-4-12(5-7-15)22(28)25-18-10-14(13-2-1-3-16(26)8-13)9-17-19(27)11-20(23(29)30)31-21(17)18/h1-11,26H,(H,25,28)(H,29,30)
InChIKeyPSZHDGBILVSFPA-UHFFFAOYSA-N
XLogP4.77
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.82
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(4-methoxybenzoyl)amino]-4-oxo-6-phenylchromene-2-carboxylic acid
CID 142544343
8-[(4-bromobenzoyl)amino]-4-oxochromene-2-carboxylic acid
CID 71733647
8-[(3,4-dichlorobenzoyl)amino]-6-fluoro-4-oxochromene-2-carboxylic acid
CID 71733650
8-(naphthalene-2-carbonylamino)-4-oxochromene-2-carboxylic acid
CID 71734946
3-chloro-5-(3-hydroxyphenyl)benzoic acid
CID 53224975
N-[2-amino-5-(3-hydroxyphenyl)phenyl]-4-methoxybenzamide
CID 59736690
5-amino-2-[(4-chlorobenzoyl)amino]benzoic acid
CID 63115662
3-(4-chlorophenyl)phenol
CID 3015395
N-(4-amino-2-hydroxyphenyl)-4-chlorobenzamide
CID 3264738
6-(4-chlorophenyl)-5-hydroxy-4-oxopyran-2-carboxylic acid
CID 15578402
4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
N-(4-chloro-2-methylphenyl)-4-phenylbenzamide
CID 19174130

Frequently Asked Questions

What is the IUPAC name of 8-[(4-chlorobenzoyl)amino]-6-(3-hydroxyphenyl)-4-oxochromene-2-carboxylic acid?
The IUPAC name of 8-[(4-chlorobenzoyl)amino]-6-(3-hydroxyphenyl)-4-oxochromene-2-carboxylic acid (CID 142544339) is 8-[(4-chlorobenzoyl)amino]-6-(3-hydroxyphenyl)-4-oxochromene-2-carboxylic acid.
What is the SMILES notation for 8-[(4-chlorobenzoyl)amino]-6-(3-hydroxyphenyl)-4-oxochromene-2-carboxylic acid?
The canonical SMILES for 8-[(4-chlorobenzoyl)amino]-6-(3-hydroxyphenyl)-4-oxochromene-2-carboxylic acid is O=C(Nc1cc(-c2cccc(O)c2)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)cc1.
What is the InChIKey of 8-[(4-chlorobenzoyl)amino]-6-(3-hydroxyphenyl)-4-oxochromene-2-carboxylic acid?
The InChIKey is PSZHDGBILVSFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClNO6/c24-15-6-4-12(5-7-15)22(28)25-18-10-14(13-2-1-3-16(26)8-13)9-17-19(27)11-20(23(29)30)31-21(17)18/h1-11,26H,(H,25,28)(H,29,30).
What are the key properties of 8-[(4-chlorobenzoyl)amino]-6-(3-hydroxyphenyl)-4-oxochromene-2-carboxylic acid?
8-[(4-chlorobenzoyl)amino]-6-(3-hydroxyphenyl)-4-oxochromene-2-carboxylic acid has a molecular weight of 435.82 g/mol, XLogP of 4.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chlorobenzoyl)amino]-6-(3-hydroxyphenyl)-4-oxochromene-2-carboxylic acid is sourced from PubChem (CID 142544339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).