2-(3-acetamidoanilino)-5-methylbenzoic acid

C16H16N2O3 — CID 62515495

IUPAC2-(3-acetamidoanilino)-5-methylbenzoic acid
SMILESCC(=O)Nc1cccc(Nc2ccc(C)cc2C(=O)O)c1
InChIInChI=1S/C16H16N2O3/c1-10-6-7-15(14(8-10)16(20)21)18-13-5-3-4-12(9-13)17-11(2)19/h3-9,18H,1-2H3,(H,17,19)(H,20,21)
InChIKeyQUNVKEXWRNBEJO-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.40
Rot. Bonds4

About 2-(3-acetamidoanilino)-5-methylbenzoic acid

2-(3-acetamidoanilino)-5-methylbenzoic acid (PubChem CID 62515495) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-5-methylbenzoic acid.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-5-methylbenzoic acid
PubChem CID62515495
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-(3-acetamidoanilino)-5-methylbenzoic acid
SMILESCC(=O)Nc1cccc(Nc2ccc(C)cc2C(=O)O)c1
InChIInChI=1S/C16H16N2O3/c1-10-6-7-15(14(8-10)16(20)21)18-13-5-3-4-12(9-13)17-11(2)19/h3-9,18H,1-2H3,(H,17,19)(H,20,21)
InChIKeyQUNVKEXWRNBEJO-UHFFFAOYSA-N
XLogP3.40
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-carboxy-4-methylanilino)anilino]-5-methylbenzoic acid
CID 10785748
5-methyl-2-(3-methylanilino)benzoic acid
CID 19749262
2-(4-fluoroanilino)-5-methylbenzoic acid
CID 55222818
N-(3-methylphenyl)acetamide
CID 10843
2-(2,6-difluoroanilino)-5-methylbenzoic acid
CID 63537820
2-(3-methylanilino)-5-nitrobenzoic acid
CID 3130546
2-[3-(2-carboxyanilino)anilino]benzoic acid
CID 21179580
N'-(3-acetamidophenyl)-N-(2-hydroxy-4-methylphenyl)oxamide
CID 108526616
2-(3-chloro-4-fluoroanilino)-5-methylbenzoic acid
CID 63537148
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methylbenzoic acid
CID 62514114
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
N-(3-acetamidophenyl)-N'-(2,5-dimethylphenyl)oxamide
CID 45001294

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-5-methylbenzoic acid?
The IUPAC name of 2-(3-acetamidoanilino)-5-methylbenzoic acid (CID 62515495) is 2-(3-acetamidoanilino)-5-methylbenzoic acid.
What is the SMILES notation for 2-(3-acetamidoanilino)-5-methylbenzoic acid?
The canonical SMILES for 2-(3-acetamidoanilino)-5-methylbenzoic acid is CC(=O)Nc1cccc(Nc2ccc(C)cc2C(=O)O)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-5-methylbenzoic acid?
The InChIKey is QUNVKEXWRNBEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-6-7-15(14(8-10)16(20)21)18-13-5-3-4-12(9-13)17-11(2)19/h3-9,18H,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-(3-acetamidoanilino)-5-methylbenzoic acid?
2-(3-acetamidoanilino)-5-methylbenzoic acid has a molecular weight of 284.32 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-5-methylbenzoic acid is sourced from PubChem (CID 62515495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).