2-(2-chloro-5-methylanilino)-2-phenylacetic acid

C15H14ClNO2 — CID 107636535

IUPAC2-(2-chloro-5-methylanilino)-2-phenylacetic acid
SMILESCc1ccc(Cl)c(NC(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C15H14ClNO2/c1-10-7-8-12(16)13(9-10)17-14(15(18)19)11-5-3-2-4-6-11/h2-9,14,17H,1H3,(H,18,19)
InChIKeyFYQXSZNXCHIMMQ-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.89
Rot. Bonds4

About 2-(2-chloro-5-methylanilino)-2-phenylacetic acid

2-(2-chloro-5-methylanilino)-2-phenylacetic acid (PubChem CID 107636535) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-(2-chloro-5-methylanilino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(2-chloro-5-methylanilino)-2-phenylacetic acid
PubChem CID107636535
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name2-(2-chloro-5-methylanilino)-2-phenylacetic acid
SMILESCc1ccc(Cl)c(NC(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C15H14ClNO2/c1-10-7-8-12(16)13(9-10)17-14(15(18)19)11-5-3-2-4-6-11/h2-9,14,17H,1H3,(H,18,19)
InChIKeyFYQXSZNXCHIMMQ-UHFFFAOYSA-N
XLogP3.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-methylanilino)-2-phenylacetic acid
CID 103231663
2-(2-chloroanilino)-2-(2,4-dimethylphenyl)acetic acid
CID 60991251
2-(5-chloro-2-fluoroanilino)-2-phenylacetic acid
CID 103237920
2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetic acid
CID 106817671
2-(2-chloroanilino)-2-(4-methoxyphenyl)acetic acid
CID 60991114
(2S)-2-[(4-chloro-3-methylbenzoyl)amino]-2-phenylacetic acid
CID 103804548
2-(2-chloro-5-methylanilino)hexanoic acid
CID 107636534
2-(2,6-dibromo-4-methylanilino)-2-phenylacetic acid
CID 103236812
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid
CID 7148292
2-chloro-5-methyl-N-(1-phenylhexyl)aniline
CID 107631201
2-(2-tert-butylanilino)-2-phenylacetic acid
CID 103254668
2-phenyl-2-(2,4,5-trifluoroanilino)acetic acid
CID 103249563

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylanilino)-2-phenylacetic acid?
The IUPAC name of 2-(2-chloro-5-methylanilino)-2-phenylacetic acid (CID 107636535) is 2-(2-chloro-5-methylanilino)-2-phenylacetic acid.
What is the SMILES notation for 2-(2-chloro-5-methylanilino)-2-phenylacetic acid?
The canonical SMILES for 2-(2-chloro-5-methylanilino)-2-phenylacetic acid is Cc1ccc(Cl)c(NC(C(=O)O)c2ccccc2)c1.
What is the InChIKey of 2-(2-chloro-5-methylanilino)-2-phenylacetic acid?
The InChIKey is FYQXSZNXCHIMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-10-7-8-12(16)13(9-10)17-14(15(18)19)11-5-3-2-4-6-11/h2-9,14,17H,1H3,(H,18,19).
What are the key properties of 2-(2-chloro-5-methylanilino)-2-phenylacetic acid?
2-(2-chloro-5-methylanilino)-2-phenylacetic acid has a molecular weight of 275.74 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylanilino)-2-phenylacetic acid is sourced from PubChem (CID 107636535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).