2-(2-methoxy-4-methylbenzoyl)-6-(4-methylanilino)benzoic acid

C23H21NO4 — CID 163704227

IUPAC2-(2-methoxy-4-methylbenzoyl)-6-(4-methylanilino)benzoic acid
SMILESCOc1cc(C)ccc1C(=O)c1cccc(Nc2ccc(C)cc2)c1C(=O)O
InChIInChI=1S/C23H21NO4/c1-14-7-10-16(11-8-14)24-19-6-4-5-18(21(19)23(26)27)22(25)17-12-9-15(2)13-20(17)28-3/h4-13,24H,1-3H3,(H,26,27)
InChIKeyRUJXBPKJEQMRMH-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.98
Rot. Bonds6

About 2-(2-methoxy-4-methylbenzoyl)-6-(4-methylanilino)benzoic acid

2-(2-methoxy-4-methylbenzoyl)-6-(4-methylanilino)benzoic acid (PubChem CID 163704227) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylbenzoyl)-6-(4-methylanilino)benzoic acid.

Molecular Properties

Compound Name2-(2-methoxy-4-methylbenzoyl)-6-(4-methylanilino)benzoic acid
PubChem CID163704227
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name2-(2-methoxy-4-methylbenzoyl)-6-(4-methylanilino)benzoic acid
SMILESCOc1cc(C)ccc1C(=O)c1cccc(Nc2ccc(C)cc2)c1C(=O)O
InChIInChI=1S/C23H21NO4/c1-14-7-10-16(11-8-14)24-19-6-4-5-18(21(19)23(26)27)22(25)17-12-9-15(2)13-20(17)28-3/h4-13,24H,1-3H3,(H,26,27)
InChIKeyRUJXBPKJEQMRMH-UHFFFAOYSA-N
XLogP4.98
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-4-methylbenzoyl)-6-methylbenzoic acid
CID 166151352
2-[2-hydroxy-3-(4-methylanilino)benzoyl]benzoic acid
CID 54528500
3-(2,4-dimethoxyanilino)phthalic acid
CID 58307328
(2-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 106790144
ethane;methyl 2-(4-methylanilino)benzoate
CID 91139504
3-(4-fluoroanilino)phthalic acid
CID 150630608
methyl 2-amino-3-(4-methylanilino)benzoate
CID 113332500
bis[2-(4-methoxyanilino)phenyl]methanone
CID 141301142
N-[4-(2-methoxy-5-methylanilino)phenyl]acetamide
CID 112987716
2-methoxy-4-[(4-methylbenzoyl)amino]benzoic acid
CID 107208693
(2-cyclobutylphenyl)-(2-methoxy-4-methylphenyl)methanone
CID 106790265
2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 122220864

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylbenzoyl)-6-(4-methylanilino)benzoic acid?
The IUPAC name of 2-(2-methoxy-4-methylbenzoyl)-6-(4-methylanilino)benzoic acid (CID 163704227) is 2-(2-methoxy-4-methylbenzoyl)-6-(4-methylanilino)benzoic acid.
What is the SMILES notation for 2-(2-methoxy-4-methylbenzoyl)-6-(4-methylanilino)benzoic acid?
The canonical SMILES for 2-(2-methoxy-4-methylbenzoyl)-6-(4-methylanilino)benzoic acid is COc1cc(C)ccc1C(=O)c1cccc(Nc2ccc(C)cc2)c1C(=O)O.
What is the InChIKey of 2-(2-methoxy-4-methylbenzoyl)-6-(4-methylanilino)benzoic acid?
The InChIKey is RUJXBPKJEQMRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-14-7-10-16(11-8-14)24-19-6-4-5-18(21(19)23(26)27)22(25)17-12-9-15(2)13-20(17)28-3/h4-13,24H,1-3H3,(H,26,27).
What are the key properties of 2-(2-methoxy-4-methylbenzoyl)-6-(4-methylanilino)benzoic acid?
2-(2-methoxy-4-methylbenzoyl)-6-(4-methylanilino)benzoic acid has a molecular weight of 375.42 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylbenzoyl)-6-(4-methylanilino)benzoic acid is sourced from PubChem (CID 163704227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).