2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetic acid

C16H16ClNO2 — CID 106817671

IUPAC2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetic acid
SMILESCc1ccc(C(Nc2ccccc2C)C(=O)O)cc1Cl
InChIInChI=1S/C16H16ClNO2/c1-10-7-8-12(9-13(10)17)15(16(19)20)18-14-6-4-3-5-11(14)2/h3-9,15,18H,1-2H3,(H,19,20)
InChIKeyUMIVJZODHVPZGJ-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.19
Rot. Bonds4

About 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetic acid

2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetic acid (PubChem CID 106817671) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetic acid
PubChem CID106817671
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetic acid
SMILESCc1ccc(C(Nc2ccccc2C)C(=O)O)cc1Cl
InChIInChI=1S/C16H16ClNO2/c1-10-7-8-12(9-13(10)17)15(16(19)20)18-14-6-4-3-5-11(14)2/h3-9,15,18H,1-2H3,(H,19,20)
InChIKeyUMIVJZODHVPZGJ-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

methyl 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetate
CID 106817672
2-(3-chloro-4-methoxyphenyl)-2-(2-methylanilino)acetic acid
CID 65026303
2-(3-bromo-4-methylphenyl)-2-(2-methylanilino)acetic acid
CID 105401888
2-[4-(difluoromethyl)phenyl]-2-(2-methylanilino)acetic acid
CID 115524516
2-(benzylamino)-2-(3-chloro-4-methylphenyl)acetic acid
CID 106817664
2-(3-hydroxy-4-methoxyphenyl)-2-(2-methylanilino)acetic acid
CID 60990827
2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)ethanol
CID 106818134
2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetic acid
CID 114843653
(2R)-2-(4-chlorophenyl)-2-(2-methylanilino)acetate
CID 7148181
2-(2-chloro-5-methylanilino)-2-phenylacetic acid
CID 107636535
2-(3-chloro-4-methylphenyl)-2-(cyclopentylamino)acetic acid
CID 106817713
2-(2-chloroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 60991250

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetic acid?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetic acid (CID 106817671) is 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetic acid.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetic acid?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetic acid is Cc1ccc(C(Nc2ccccc2C)C(=O)O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetic acid?
The InChIKey is UMIVJZODHVPZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-10-7-8-12(9-13(10)17)15(16(19)20)18-14-6-4-3-5-11(14)2/h3-9,15,18H,1-2H3,(H,19,20).
What are the key properties of 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetic acid?
2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)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-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetic acid is sourced from PubChem (CID 106817671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).