2-(N-(3-chloro-2-methylbenzoyl)anilino)acetic acid

C16H14ClNO3 — CID 107095859

IUPAC2-(N-(3-chloro-2-methylbenzoyl)anilino)acetic acid
SMILESCc1c(Cl)cccc1C(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C16H14ClNO3/c1-11-13(8-5-9-14(11)17)16(21)18(10-15(19)20)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,19,20)
InChIKeyZSTMCWKNUXYCLL-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.38
Rot. Bonds4

About 2-(N-(3-chloro-2-methylbenzoyl)anilino)acetic acid

2-(N-(3-chloro-2-methylbenzoyl)anilino)acetic acid (PubChem CID 107095859) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-(N-(3-chloro-2-methylbenzoyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(N-(3-chloro-2-methylbenzoyl)anilino)acetic acid
PubChem CID107095859
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name2-(N-(3-chloro-2-methylbenzoyl)anilino)acetic acid
SMILESCc1c(Cl)cccc1C(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C16H14ClNO3/c1-11-13(8-5-9-14(11)17)16(21)18(10-15(19)20)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,19,20)
InChIKeyZSTMCWKNUXYCLL-UHFFFAOYSA-N
XLogP3.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-(2-hydroxybenzoyl)-4-methylanilino)acetic acid
CID 60831615
2-(N-(2-aminobenzoyl)-4-chloroanilino)acetic acid
CID 61214109
2-(N-(3-methylbenzoyl)anilino)acetic acid
CID 28765017
2-(N-(5-fluoro-2-methylbenzoyl)anilino)acetic acid
CID 63049276
2-(3,5-dichloro-N-(2-hydroxybenzoyl)anilino)acetic acid
CID 44563691
2-[N-(carboxymethyl)-3-chloro-2-methylanilino]acetic acid
CID 58135098
2-(N-(3-methylfuran-2-carbonyl)anilino)acetic acid
CID 60830300
2-[(3-chloro-2-methylphenyl)methyl-methylamino]acetic acid
CID 136560023
N-(1-bromo-2-methylpropan-2-yl)-3-chloro-N,2-dimethylbenzamide
CID 107100236
3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
CID 107097824
2-(N-(4,5-dimethylthiophene-2-carbonyl)anilino)acetic acid
CID 60831160
2-[N-(2-methylpropanoyl)anilino]acetic acid
CID 28764984

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3-chloro-2-methylbenzoyl)anilino)acetic acid?
The IUPAC name of 2-(N-(3-chloro-2-methylbenzoyl)anilino)acetic acid (CID 107095859) is 2-(N-(3-chloro-2-methylbenzoyl)anilino)acetic acid.
What is the SMILES notation for 2-(N-(3-chloro-2-methylbenzoyl)anilino)acetic acid?
The canonical SMILES for 2-(N-(3-chloro-2-methylbenzoyl)anilino)acetic acid is Cc1c(Cl)cccc1C(=O)N(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-(N-(3-chloro-2-methylbenzoyl)anilino)acetic acid?
The InChIKey is ZSTMCWKNUXYCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-11-13(8-5-9-14(11)17)16(21)18(10-15(19)20)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 2-(N-(3-chloro-2-methylbenzoyl)anilino)acetic acid?
2-(N-(3-chloro-2-methylbenzoyl)anilino)acetic acid has a molecular weight of 303.75 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3-chloro-2-methylbenzoyl)anilino)acetic acid is sourced from PubChem (CID 107095859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).