2-(2-chloroanilino)-2-(2,4-dimethylphenyl)acetic acid

C16H16ClNO2 — CID 60991251

IUPAC2-(2-chloroanilino)-2-(2,4-dimethylphenyl)acetic acid
SMILESCc1ccc(C(Nc2ccccc2Cl)C(=O)O)c(C)c1
InChIInChI=1S/C16H16ClNO2/c1-10-7-8-12(11(2)9-10)15(16(19)20)18-14-6-4-3-5-13(14)17/h3-9,15,18H,1-2H3,(H,19,20)
InChIKeyKLHIHHVYHKYBTG-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.19
Rot. Bonds4

About 2-(2-chloroanilino)-2-(2,4-dimethylphenyl)acetic acid

2-(2-chloroanilino)-2-(2,4-dimethylphenyl)acetic acid (PubChem CID 60991251) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-(2-chloroanilino)-2-(2,4-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-chloroanilino)-2-(2,4-dimethylphenyl)acetic acid
PubChem CID60991251
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name2-(2-chloroanilino)-2-(2,4-dimethylphenyl)acetic acid
SMILESCc1ccc(C(Nc2ccccc2Cl)C(=O)O)c(C)c1
InChIInChI=1S/C16H16ClNO2/c1-10-7-8-12(11(2)9-10)15(16(19)20)18-14-6-4-3-5-13(14)17/h3-9,15,18H,1-2H3,(H,19,20)
InChIKeyKLHIHHVYHKYBTG-UHFFFAOYSA-N
XLogP4.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-5-methylanilino)-2-phenylacetic acid
CID 107636535
2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetic acid
CID 114843653
1-(2-chlorophenyl)-3-[(S)-(2,4-dimethylphenyl)-phenylmethyl]thiourea
CID 100747275
2-(4-fluoro-2-methylphenyl)-2-(2-methoxyanilino)acetic acid
CID 62134648
2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetic acid
CID 106817671
2-(2-chloroanilino)-2-(4-methoxyphenyl)acetic acid
CID 60991114
2-(2-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid
CID 115990145
2-anilino-2-(4-fluoro-2-methylphenyl)acetic acid
CID 62136008
1-(2-chlorophenyl)-3-[(1S)-1-(2,4-dimethylphenyl)-2-methylpropyl]thiourea
CID 100746421
2-(2-chloroanilino)-2-(3-chloro-5-fluorophenyl)acetic acid
CID 114453647
2-(2-chloroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 60991250
2-(2-chloroanilino)-2-(2-chlorophenyl)acetamide
CID 54892395

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-2-(2,4-dimethylphenyl)acetic acid?
The IUPAC name of 2-(2-chloroanilino)-2-(2,4-dimethylphenyl)acetic acid (CID 60991251) is 2-(2-chloroanilino)-2-(2,4-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-(2-chloroanilino)-2-(2,4-dimethylphenyl)acetic acid?
The canonical SMILES for 2-(2-chloroanilino)-2-(2,4-dimethylphenyl)acetic acid is Cc1ccc(C(Nc2ccccc2Cl)C(=O)O)c(C)c1.
What is the InChIKey of 2-(2-chloroanilino)-2-(2,4-dimethylphenyl)acetic acid?
The InChIKey is KLHIHHVYHKYBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-10-7-8-12(11(2)9-10)15(16(19)20)18-14-6-4-3-5-13(14)17/h3-9,15,18H,1-2H3,(H,19,20).
What are the key properties of 2-(2-chloroanilino)-2-(2,4-dimethylphenyl)acetic acid?
2-(2-chloroanilino)-2-(2,4-dimethylphenyl)acetic acid has a molecular weight of 289.76 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-2-(2,4-dimethylphenyl)acetic acid is sourced from PubChem (CID 60991251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).