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

C15H14ClNO4 — CID 60991250

IUPAC2-(2-chloroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
SMILESCOc1ccc(C(Nc2ccccc2Cl)C(=O)O)cc1O
InChIInChI=1S/C15H14ClNO4/c1-21-13-7-6-9(8-12(13)18)14(15(19)20)17-11-5-3-2-4-10(11)16/h2-8,14,17-18H,1H3,(H,19,20)
InChIKeyFDPNJWWJXQBDBZ-UHFFFAOYSA-N
MW307.73 g/mol
LogP3.29
Rot. Bonds5

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

2-(2-chloroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid (PubChem CID 60991250) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is 2-(2-chloroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-chloroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
PubChem CID60991250
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name2-(2-chloroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
SMILESCOc1ccc(C(Nc2ccccc2Cl)C(=O)O)cc1O
InChIInChI=1S/C15H14ClNO4/c1-21-13-7-6-9(8-12(13)18)14(15(19)20)17-11-5-3-2-4-10(11)16/h2-8,14,17-18H,1H3,(H,19,20)
InChIKeyFDPNJWWJXQBDBZ-UHFFFAOYSA-N
XLogP3.29
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxy-4-methoxyphenyl)-2-(2-methylanilino)acetic acid
CID 60990827
2-(2-chloroanilino)-2-(4-methoxyphenyl)acetic acid
CID 60991114
2-(3-chloro-4-methoxyphenyl)-2-(2-methylanilino)acetic acid
CID 65026303
(2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid
CID 7148168
2-(4-fluoroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 60992204
2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid
CID 60993438
2-(2-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 62132447
2-(2-bromoanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 62131190
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid
CID 7148292
2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetic acid
CID 106817671
2-(cyclopropylmethylamino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 54894829
2-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)acetic acid
CID 65026414

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid?
The IUPAC name of 2-(2-chloroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid (CID 60991250) is 2-(2-chloroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-chloroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(2-chloroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid is COc1ccc(C(Nc2ccccc2Cl)C(=O)O)cc1O.
What is the InChIKey of 2-(2-chloroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid?
The InChIKey is FDPNJWWJXQBDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-21-13-7-6-9(8-12(13)18)14(15(19)20)17-11-5-3-2-4-10(11)16/h2-8,14,17-18H,1H3,(H,19,20).
What are the key properties of 2-(2-chloroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid?
2-(2-chloroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid has a molecular weight of 307.73 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid is sourced from PubChem (CID 60991250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).