2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid

C15H14ClNO3 — CID 60990738

IUPAC2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid
SMILESCOc1ccc(C(Nc2cccc(Cl)c2)C(=O)O)cc1
InChIInChI=1S/C15H14ClNO3/c1-20-13-7-5-10(6-8-13)14(15(18)19)17-12-4-2-3-11(16)9-12/h2-9,14,17H,1H3,(H,18,19)
InChIKeyJTJVSCRLYCOKDF-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.59
Rot. Bonds5

About 2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid

2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid (PubChem CID 60990738) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid
PubChem CID60990738
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid
SMILESCOc1ccc(C(Nc2cccc(Cl)c2)C(=O)O)cc1
InChIInChI=1S/C15H14ClNO3/c1-20-13-7-5-10(6-8-13)14(15(18)19)17-12-4-2-3-11(16)9-12/h2-9,14,17H,1H3,(H,18,19)
InChIKeyJTJVSCRLYCOKDF-UHFFFAOYSA-N
XLogP3.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991192
2-(3-chloroanilino)-2-(4-cyclopropylphenyl)acetic acid
CID 79970774
2-(3-chloroanilino)-2-(2-chloro-6-methoxyphenyl)acetic acid
CID 104816535
2-(3,4-difluorophenyl)-2-(3-methoxyanilino)acetic acid
CID 60993011
2-(2-chloroanilino)-2-(4-methoxyphenyl)acetic acid
CID 60991114
2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991336
2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)acetamide
CID 65027018
2-(5-chloro-2-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 114843642
2-(2,6-dichlorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60992556
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
2-(3-chloroanilino)-2-(6-methoxy-3-pyridinyl)acetamide
CID 114937337
(2R)-2-(3-chloroanilino)-2-(4-methylphenyl)acetate
CID 7152560

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid?
The IUPAC name of 2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid (CID 60990738) is 2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid is COc1ccc(C(Nc2cccc(Cl)c2)C(=O)O)cc1.
What is the InChIKey of 2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid?
The InChIKey is JTJVSCRLYCOKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-20-13-7-5-10(6-8-13)14(15(18)19)17-12-4-2-3-11(16)9-12/h2-9,14,17H,1H3,(H,18,19).
What are the key properties of 2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid?
2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid has a molecular weight of 291.73 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid is sourced from PubChem (CID 60990738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).