2-[[3-[(4-methylbenzoyl)amino]benzoyl]amino]acetic acid

C17H16N2O4 — CID 90870302

IUPAC2-[[3-[(4-methylbenzoyl)amino]benzoyl]amino]acetic acid
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)NCC(=O)O)c2)cc1
InChIInChI=1S/C17H16N2O4/c1-11-5-7-12(8-6-11)17(23)19-14-4-2-3-13(9-14)16(22)18-10-15(20)21/h2-9H,10H2,1H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyIKXUXVQPTKEVPA-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.06
Rot. Bonds5

About 2-[[3-[(4-methylbenzoyl)amino]benzoyl]amino]acetic acid

2-[[3-[(4-methylbenzoyl)amino]benzoyl]amino]acetic acid (PubChem CID 90870302) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-[[3-[(4-methylbenzoyl)amino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(4-methylbenzoyl)amino]benzoyl]amino]acetic acid
PubChem CID90870302
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name2-[[3-[(4-methylbenzoyl)amino]benzoyl]amino]acetic acid
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)NCC(=O)O)c2)cc1
InChIInChI=1S/C17H16N2O4/c1-11-5-7-12(8-6-11)17(23)19-14-4-2-3-13(9-14)16(22)18-10-15(20)21/h2-9H,10H2,1H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyIKXUXVQPTKEVPA-UHFFFAOYSA-N
XLogP2.06
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzoyl]amino]acetic acid
CID 75429323
N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide
CID 34830762
2-[[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]amino]acetic acid
CID 71936304
methyl-[3-[(4-methylbenzoyl)amino]benzoyl]carbamic acid
CID 173192241
2-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]acetic acid
CID 58944712
2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]acetic acid
CID 45434759
N-(2-anilino-2-oxoethyl)-4-methylbenzamide
CID 4010991
N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide
CID 42427411
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 28638755
2-[[4-[(3-nitrobenzoyl)amino]benzoyl]amino]acetic acid
CID 45434704
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-methylbenzoyl)amino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[3-[(4-methylbenzoyl)amino]benzoyl]amino]acetic acid (CID 90870302) is 2-[[3-[(4-methylbenzoyl)amino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-[(4-methylbenzoyl)amino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[3-[(4-methylbenzoyl)amino]benzoyl]amino]acetic acid is Cc1ccc(C(=O)Nc2cccc(C(=O)NCC(=O)O)c2)cc1.
What is the InChIKey of 2-[[3-[(4-methylbenzoyl)amino]benzoyl]amino]acetic acid?
The InChIKey is IKXUXVQPTKEVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-11-5-7-12(8-6-11)17(23)19-14-4-2-3-13(9-14)16(22)18-10-15(20)21/h2-9H,10H2,1H3,(H,18,22)(H,19,23)(H,20,21).
What are the key properties of 2-[[3-[(4-methylbenzoyl)amino]benzoyl]amino]acetic acid?
2-[[3-[(4-methylbenzoyl)amino]benzoyl]amino]acetic acid has a molecular weight of 312.33 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-methylbenzoyl)amino]benzoyl]amino]acetic acid is sourced from PubChem (CID 90870302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).