2-[4-(3-chlorobenzoyl)-2-methylanilino]acetic acid

C16H14ClNO3 — CID 23341867

IUPAC2-[4-(3-chlorobenzoyl)-2-methylanilino]acetic acid
SMILESCc1cc(C(=O)c2cccc(Cl)c2)ccc1NCC(=O)O
InChIInChI=1S/C16H14ClNO3/c1-10-7-12(5-6-14(10)18-9-15(19)20)16(21)11-3-2-4-13(17)8-11/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyKZOYSGWTDACCJX-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.38
Rot. Bonds5

About 2-[4-(3-chlorobenzoyl)-2-methylanilino]acetic acid

2-[4-(3-chlorobenzoyl)-2-methylanilino]acetic acid (PubChem CID 23341867) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-[4-(3-chlorobenzoyl)-2-methylanilino]acetic acid.

Molecular Properties

Compound Name2-[4-(3-chlorobenzoyl)-2-methylanilino]acetic acid
PubChem CID23341867
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name2-[4-(3-chlorobenzoyl)-2-methylanilino]acetic acid
SMILESCc1cc(C(=O)c2cccc(Cl)c2)ccc1NCC(=O)O
InChIInChI=1S/C16H14ClNO3/c1-10-7-12(5-6-14(10)18-9-15(19)20)16(21)11-3-2-4-13(17)8-11/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyKZOYSGWTDACCJX-UHFFFAOYSA-N
XLogP3.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-chlorobenzoyl)-2-methylanilino]acetic acid
CID 23341862
2-[4-(2-fluoropropan-2-yl)-2-methylanilino]acetic acid
CID 115034955
N'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide
CID 7918365
5-(4-chloro-2-methylanilino)pentanoic acid
CID 28972078
4-[1-(3-chlorophenyl)propylamino]-3-methylbenzoic acid
CID 43736124
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073
2-(4-chloro-2-methylanilino)-N-(3-fluorophenyl)acetamide
CID 26507132
4-[(5-chloro-2-hydroxyphenyl)methylamino]-3-methylbenzoic acid
CID 43736136
N-[4-(3-chlorobenzoyl)phenyl]ethanesulfonamide
CID 43339100
2-(4-benzoylphenoxy)-N-(4-chloro-2-methylphenyl)acetamide
CID 7717727
(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methanone
CID 114964168
N-(4-chloro-2-methylphenyl)-2-(2,3-dimethylanilino)acetamide
CID 7636870

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorobenzoyl)-2-methylanilino]acetic acid?
The IUPAC name of 2-[4-(3-chlorobenzoyl)-2-methylanilino]acetic acid (CID 23341867) is 2-[4-(3-chlorobenzoyl)-2-methylanilino]acetic acid.
What is the SMILES notation for 2-[4-(3-chlorobenzoyl)-2-methylanilino]acetic acid?
The canonical SMILES for 2-[4-(3-chlorobenzoyl)-2-methylanilino]acetic acid is Cc1cc(C(=O)c2cccc(Cl)c2)ccc1NCC(=O)O.
What is the InChIKey of 2-[4-(3-chlorobenzoyl)-2-methylanilino]acetic acid?
The InChIKey is KZOYSGWTDACCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-10-7-12(5-6-14(10)18-9-15(19)20)16(21)11-3-2-4-13(17)8-11/h2-8,18H,9H2,1H3,(H,19,20).
What are the key properties of 2-[4-(3-chlorobenzoyl)-2-methylanilino]acetic acid?
2-[4-(3-chlorobenzoyl)-2-methylanilino]acetic acid has a molecular weight of 303.75 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorobenzoyl)-2-methylanilino]acetic acid is sourced from PubChem (CID 23341867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).