2-(4-chloroanilino)-2-[4-(difluoromethyl)phenyl]acetic acid

C15H12ClF2NO2 — CID 115524530

IUPAC2-(4-chloroanilino)-2-[4-(difluoromethyl)phenyl]acetic acid
SMILESO=C(O)C(Nc1ccc(Cl)cc1)c1ccc(C(F)F)cc1
InChIInChI=1S/C15H12ClF2NO2/c16-11-5-7-12(8-6-11)19-13(15(20)21)9-1-3-10(4-2-9)14(17)18/h1-8,13-14,19H,(H,20,21)
InChIKeyMKKAOSTVCMXDGV-UHFFFAOYSA-N
MW311.72 g/mol
LogP4.52
Rot. Bonds5

About 2-(4-chloroanilino)-2-[4-(difluoromethyl)phenyl]acetic acid

2-(4-chloroanilino)-2-[4-(difluoromethyl)phenyl]acetic acid (PubChem CID 115524530) has the molecular formula C15H12ClF2NO2 and a molecular weight of 311.72 g/mol. Its IUPAC name is 2-(4-chloroanilino)-2-[4-(difluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-(4-chloroanilino)-2-[4-(difluoromethyl)phenyl]acetic acid
PubChem CID115524530
Molecular FormulaC15H12ClF2NO2
Molecular Weight311.72 g/mol
Exact Mass311.05
IUPAC Name2-(4-chloroanilino)-2-[4-(difluoromethyl)phenyl]acetic acid
SMILESO=C(O)C(Nc1ccc(Cl)cc1)c1ccc(C(F)F)cc1
InChIInChI=1S/C15H12ClF2NO2/c16-11-5-7-12(8-6-11)19-13(15(20)21)9-1-3-10(4-2-9)14(17)18/h1-8,13-14,19H,(H,20,21)
InChIKeyMKKAOSTVCMXDGV-UHFFFAOYSA-N
XLogP4.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid
CID 7152583
2-[4-(difluoromethyl)phenyl]-2-(4-fluoroanilino)acetic acid
CID 115524519
2-(4-bromophenyl)-2-(4-chloroanilino)acetic acid
CID 54890320
(2R)-2-(4-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid
CID 7148164
2-(4-chlorophenyl)-2-(2-fluoroanilino)acetic acid
CID 2757785
(2S)-2-anilino-2-(4-chlorophenyl)acetate
CID 7148177
(2R)-2-anilino-2-(4-fluorophenyl)acetic acid
CID 28810428
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
2-(3,4-difluoroanilino)-2-phenylacetic acid
CID 70136310
2-(4-chloroanilino)-2-(2-chlorophenyl)acetic acid
CID 54890414
2-(4-chloroanilino)-2-(2,4-difluorophenyl)acetic acid
CID 60993908
(2R)-2-(4-chloroanilino)-2-(4-methylphenyl)acetate
CID 7152564

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-2-[4-(difluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-(4-chloroanilino)-2-[4-(difluoromethyl)phenyl]acetic acid (CID 115524530) is 2-(4-chloroanilino)-2-[4-(difluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-(4-chloroanilino)-2-[4-(difluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-(4-chloroanilino)-2-[4-(difluoromethyl)phenyl]acetic acid is O=C(O)C(Nc1ccc(Cl)cc1)c1ccc(C(F)F)cc1.
What is the InChIKey of 2-(4-chloroanilino)-2-[4-(difluoromethyl)phenyl]acetic acid?
The InChIKey is MKKAOSTVCMXDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO2/c16-11-5-7-12(8-6-11)19-13(15(20)21)9-1-3-10(4-2-9)14(17)18/h1-8,13-14,19H,(H,20,21).
What are the key properties of 2-(4-chloroanilino)-2-[4-(difluoromethyl)phenyl]acetic acid?
2-(4-chloroanilino)-2-[4-(difluoromethyl)phenyl]acetic acid has a molecular weight of 311.72 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-2-[4-(difluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 115524530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).