(2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid

C14H11ClFNO2 — CID 7152583

IUPAC(2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid
SMILESO=C(O)[C@H](Nc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClFNO2/c15-10-3-1-9(2-4-10)13(14(18)19)17-12-7-5-11(16)6-8-12/h1-8,13,17H,(H,18,19)/t13-/m1/s1
InChIKeyWGJQEOYZFXXWBI-CYBMUJFWSA-N
MW279.70 g/mol
LogP3.72
Rot. Bonds4

About (2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid

(2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid (PubChem CID 7152583) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid
PubChem CID7152583
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name(2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid
SMILESO=C(O)[C@H](Nc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClFNO2/c15-10-3-1-9(2-4-10)13(14(18)19)17-12-7-5-11(16)6-8-12/h1-8,13,17H,(H,18,19)/t13-/m1/s1
InChIKeyWGJQEOYZFXXWBI-CYBMUJFWSA-N
XLogP3.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloroanilino)-2-[4-(difluoromethyl)phenyl]acetic acid
CID 115524530
2-[4-(difluoromethyl)phenyl]-2-(4-fluoroanilino)acetic acid
CID 115524519
(2R)-2-anilino-2-(4-fluorophenyl)acetic acid
CID 28810428
2-(4-bromophenyl)-2-(4-chloroanilino)acetic acid
CID 54890320
2-(3-bromo-4-fluorophenyl)-2-(4-fluoroanilino)acetic acid
CID 60992095
2-(4-fluoroanilino)-2-(4-methylsulfanylphenyl)acetic acid
CID 60991973
2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991336
2-(4-chloroanilino)-2-(2,4-difluorophenyl)acetic acid
CID 60993908
(2R)-2-(4-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid
CID 7148164
2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid
CID 82021415
2-(3-fluoroanilino)-2-(4-fluorophenyl)acetic acid
CID 54890833
2-(4-chlorophenyl)-2-(2-fluoroanilino)acetic acid
CID 2757785

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid?
The IUPAC name of (2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid (CID 7152583) is (2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid is O=C(O)[C@H](Nc1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid?
The InChIKey is WGJQEOYZFXXWBI-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c15-10-3-1-9(2-4-10)13(14(18)19)17-12-7-5-11(16)6-8-12/h1-8,13,17H,(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid?
(2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid has a molecular weight of 279.70 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid is sourced from PubChem (CID 7152583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).