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

C14H10ClF2NO2 — CID 60993908

IUPAC2-(4-chloroanilino)-2-(2,4-difluorophenyl)acetic acid
SMILESO=C(O)C(Nc1ccc(Cl)cc1)c1ccc(F)cc1F
InChIInChI=1S/C14H10ClF2NO2/c15-8-1-4-10(5-2-8)18-13(14(19)20)11-6-3-9(16)7-12(11)17/h1-7,13,18H,(H,19,20)
InChIKeyGPONPAWMMDFLFP-UHFFFAOYSA-N
MW297.69 g/mol
LogP3.86
Rot. Bonds4

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

2-(4-chloroanilino)-2-(2,4-difluorophenyl)acetic acid (PubChem CID 60993908) has the molecular formula C14H10ClF2NO2 and a molecular weight of 297.69 g/mol. Its IUPAC name is 2-(4-chloroanilino)-2-(2,4-difluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(4-chloroanilino)-2-(2,4-difluorophenyl)acetic acid
PubChem CID60993908
Molecular FormulaC14H10ClF2NO2
Molecular Weight297.69 g/mol
Exact Mass297.04
IUPAC Name2-(4-chloroanilino)-2-(2,4-difluorophenyl)acetic acid
SMILESO=C(O)C(Nc1ccc(Cl)cc1)c1ccc(F)cc1F
InChIInChI=1S/C14H10ClF2NO2/c15-8-1-4-10(5-2-8)18-13(14(19)20)11-6-3-9(16)7-12(11)17/h1-7,13,18H,(H,19,20)
InChIKeyGPONPAWMMDFLFP-UHFFFAOYSA-N
XLogP3.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.69
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-2-(4-fluoroanilino)acetic acid
CID 60992205
(2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid
CID 7152583
2-(4-fluoroanilino)-2-(2-fluorophenyl)acetic acid
CID 54889513
2-(4-chloroanilino)-2-(2-chlorophenyl)acetic acid
CID 54890414
2-anilino-2-(2,4-difluorophenyl)acetamide
CID 54889357
(2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid
CID 93280033
2-anilino-2-(4-bromo-2-fluorophenyl)acetic acid
CID 54890074
2-anilino-2-(4-fluoro-2-methylphenyl)acetic acid
CID 62136008
2-(5-chloro-2-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 114843642
methyl 2-(4-bromoanilino)-2-(2,4-difluorophenyl)acetate
CID 60993846
2-(4-chloroanilino)-2-[4-(difluoromethyl)phenyl]acetic acid
CID 115524530
2-anilino-2-(5-fluoro-2-methylphenyl)acetic acid
CID 114075665

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-2-(2,4-difluorophenyl)acetic acid?
The IUPAC name of 2-(4-chloroanilino)-2-(2,4-difluorophenyl)acetic acid (CID 60993908) is 2-(4-chloroanilino)-2-(2,4-difluorophenyl)acetic acid.
What is the SMILES notation for 2-(4-chloroanilino)-2-(2,4-difluorophenyl)acetic acid?
The canonical SMILES for 2-(4-chloroanilino)-2-(2,4-difluorophenyl)acetic acid is O=C(O)C(Nc1ccc(Cl)cc1)c1ccc(F)cc1F.
What is the InChIKey of 2-(4-chloroanilino)-2-(2,4-difluorophenyl)acetic acid?
The InChIKey is GPONPAWMMDFLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO2/c15-8-1-4-10(5-2-8)18-13(14(19)20)11-6-3-9(16)7-12(11)17/h1-7,13,18H,(H,19,20).
What are the key properties of 2-(4-chloroanilino)-2-(2,4-difluorophenyl)acetic acid?
2-(4-chloroanilino)-2-(2,4-difluorophenyl)acetic acid has a molecular weight of 297.69 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-2-(2,4-difluorophenyl)acetic acid is sourced from PubChem (CID 60993908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).