4-anilino-5-(N-methylanilino)phthalic acid

C21H18N2O4 — CID 22918377

IUPAC4-anilino-5-(N-methylanilino)phthalic acid
SMILESCN(c1ccccc1)c1cc(C(=O)O)c(C(=O)O)cc1Nc1ccccc1
InChIInChI=1S/C21H18N2O4/c1-23(15-10-6-3-7-11-15)19-13-17(21(26)27)16(20(24)25)12-18(19)22-14-8-4-2-5-9-14/h2-13,22H,1H3,(H,24,25)(H,26,27)
InChIKeyMWGMZCYYEIMSHA-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.59
Rot. Bonds6

About 4-anilino-5-(N-methylanilino)phthalic acid

4-anilino-5-(N-methylanilino)phthalic acid (PubChem CID 22918377) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-anilino-5-(N-methylanilino)phthalic acid.

Molecular Properties

Compound Name4-anilino-5-(N-methylanilino)phthalic acid
PubChem CID22918377
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name4-anilino-5-(N-methylanilino)phthalic acid
SMILESCN(c1ccccc1)c1cc(C(=O)O)c(C(=O)O)cc1Nc1ccccc1
InChIInChI=1S/C21H18N2O4/c1-23(15-10-6-3-7-11-15)19-13-17(21(26)27)16(20(24)25)12-18(19)22-14-8-4-2-5-9-14/h2-13,22H,1H3,(H,24,25)(H,26,27)
InChIKeyMWGMZCYYEIMSHA-UHFFFAOYSA-N
XLogP4.59
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-(N-methylanilino)benzoic acid
CID 83721799
N-(3-acetamidophenyl)-2-(N-methylanilino)benzamide
CID 55736923
2-anilino-5-fluoroterephthalic acid
CID 16748393
2-anilinobenzoic acid;N-phenylaniline
CID 68732454
N-methoxy-2-(N-methylanilino)benzamide
CID 47216174
2-[3-(2-carboxyanilino)anilino]benzoic acid
CID 21179580
2,5-bis(4-methoxyanilino)terephthalic acid
CID 3084837
2-methyl-4-(N-methylanilino)benzoic acid
CID 62136290
dimethyl 2-anilino-5-methylbenzene-1,4-dicarboxylate
CID 59019297
2-[4-(dimethylcarbamoyl)anilino]benzoic acid
CID 51066170
2-(N-methylanilino)pyridine-3-carboxylic acid
CID 139145304
N-(6-anilino-1,3-dioxoisoindol-5-yl)-N-phenylacetamide
CID 10361853

Frequently Asked Questions

What is the IUPAC name of 4-anilino-5-(N-methylanilino)phthalic acid?
The IUPAC name of 4-anilino-5-(N-methylanilino)phthalic acid (CID 22918377) is 4-anilino-5-(N-methylanilino)phthalic acid.
What is the SMILES notation for 4-anilino-5-(N-methylanilino)phthalic acid?
The canonical SMILES for 4-anilino-5-(N-methylanilino)phthalic acid is CN(c1ccccc1)c1cc(C(=O)O)c(C(=O)O)cc1Nc1ccccc1.
What is the InChIKey of 4-anilino-5-(N-methylanilino)phthalic acid?
The InChIKey is MWGMZCYYEIMSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-23(15-10-6-3-7-11-15)19-13-17(21(26)27)16(20(24)25)12-18(19)22-14-8-4-2-5-9-14/h2-13,22H,1H3,(H,24,25)(H,26,27).
What are the key properties of 4-anilino-5-(N-methylanilino)phthalic acid?
4-anilino-5-(N-methylanilino)phthalic acid has a molecular weight of 362.39 g/mol, XLogP of 4.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-5-(N-methylanilino)phthalic acid is sourced from PubChem (CID 22918377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).