2-[[2-(3-methylanilino)acetyl]amino]benzoic acid

C16H16N2O3 — CID 10589114

IUPAC2-[[2-(3-methylanilino)acetyl]amino]benzoic acid
SMILESCc1cccc(NCC(=O)Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C16H16N2O3/c1-11-5-4-6-12(9-11)17-10-15(19)18-14-8-3-2-7-13(14)16(20)21/h2-9,17H,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyCMBJNWSJKWKPSJ-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.74
Rot. Bonds5

About 2-[[2-(3-methylanilino)acetyl]amino]benzoic acid

2-[[2-(3-methylanilino)acetyl]amino]benzoic acid (PubChem CID 10589114) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[[2-(3-methylanilino)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-(3-methylanilino)acetyl]amino]benzoic acid
PubChem CID10589114
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-[[2-(3-methylanilino)acetyl]amino]benzoic acid
SMILESCc1cccc(NCC(=O)Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C16H16N2O3/c1-11-5-4-6-12(9-11)17-10-15(19)18-14-8-3-2-7-13(14)16(20)21/h2-9,17H,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyCMBJNWSJKWKPSJ-UHFFFAOYSA-N
XLogP2.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-fluoroanilino)acetyl]amino]benzoic acid
CID 10850874
2-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 54840155
2-[[2-(3-carbamoylanilino)acetyl]amino]benzamide
CID 54842453
2-(butanoylamino)benzoic acid;1-methyl-3-phenylbenzene
CID 143234395
2-[[2-(2-ethoxyanilino)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 30568013
2-[[2-(2-methoxyanilino)acetyl]amino]benzoic acid
CID 18929239
4-chloro-2-[[2-(3-chloroanilino)acetyl]amino]benzoic acid
CID 51051496
2-anilino-N-(3-bromo-2-methylphenyl)acetamide
CID 50874354
2-(3,5-dimethylanilino)-N-phenylacetamide
CID 7636819
3-(3-methylanilino)-N-(2-methylphenyl)propanamide
CID 109033964
2-[[2-[3-chloro-4-(3-fluoro-2-oxopropyl)anilino]acetyl]amino]benzoic acid
CID 174556616
2-[[2-[3-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840518

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methylanilino)acetyl]amino]benzoic acid?
The IUPAC name of 2-[[2-(3-methylanilino)acetyl]amino]benzoic acid (CID 10589114) is 2-[[2-(3-methylanilino)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-(3-methylanilino)acetyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-(3-methylanilino)acetyl]amino]benzoic acid is Cc1cccc(NCC(=O)Nc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[[2-(3-methylanilino)acetyl]amino]benzoic acid?
The InChIKey is CMBJNWSJKWKPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-5-4-6-12(9-11)17-10-15(19)18-14-8-3-2-7-13(14)16(20)21/h2-9,17H,10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-(3-methylanilino)acetyl]amino]benzoic acid?
2-[[2-(3-methylanilino)acetyl]amino]benzoic acid has a molecular weight of 284.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methylanilino)acetyl]amino]benzoic acid is sourced from PubChem (CID 10589114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).