(2R)-2-anilino-2-(4-fluorophenyl)acetic acid

C14H12FNO2 — CID 28810428

IUPAC(2R)-2-anilino-2-(4-fluorophenyl)acetic acid
SMILESO=C(O)[C@H](Nc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H12FNO2/c15-11-8-6-10(7-9-11)13(14(17)18)16-12-4-2-1-3-5-12/h1-9,13,16H,(H,17,18)/t13-/m1/s1
InChIKeyOBAAFOUXBVWAIF-CYBMUJFWSA-N
MW245.25 g/mol
LogP3.06
Rot. Bonds4

About (2R)-2-anilino-2-(4-fluorophenyl)acetic acid

(2R)-2-anilino-2-(4-fluorophenyl)acetic acid (PubChem CID 28810428) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is (2R)-2-anilino-2-(4-fluorophenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-anilino-2-(4-fluorophenyl)acetic acid
PubChem CID28810428
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name(2R)-2-anilino-2-(4-fluorophenyl)acetic acid
SMILESO=C(O)[C@H](Nc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H12FNO2/c15-11-8-6-10(7-9-11)13(14(17)18)16-12-4-2-1-3-5-12/h1-9,13,16H,(H,17,18)/t13-/m1/s1
InChIKeyOBAAFOUXBVWAIF-CYBMUJFWSA-N
XLogP3.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoroanilino)-2-(4-fluorophenyl)acetic acid
CID 54890833
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
2-[4-(difluoromethyl)phenyl]-2-(4-fluoroanilino)acetic acid
CID 115524519
(2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid
CID 7152583
2-(4-fluoroanilino)-2-(4-methylsulfanylphenyl)acetic acid
CID 60991973
2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991336
2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid
CID 82021415
(2S)-2-anilino-N-(4-fluorophenyl)-2-phenylacetamide
CID 7830464
2-anilino-2-(3,4,5-trifluorophenyl)acetic acid
CID 63076629
2-anilino-2-(3-fluoro-4-hydroxyphenyl)acetic acid
CID 107690184
2-(4-fluoroanilino)-2-(2-fluorophenyl)acetic acid
CID 54889513
2-(4-fluoroanilino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 46799428

Frequently Asked Questions

What is the IUPAC name of (2R)-2-anilino-2-(4-fluorophenyl)acetic acid?
The IUPAC name of (2R)-2-anilino-2-(4-fluorophenyl)acetic acid (CID 28810428) is (2R)-2-anilino-2-(4-fluorophenyl)acetic acid.
What is the SMILES notation for (2R)-2-anilino-2-(4-fluorophenyl)acetic acid?
The canonical SMILES for (2R)-2-anilino-2-(4-fluorophenyl)acetic acid is O=C(O)[C@H](Nc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-anilino-2-(4-fluorophenyl)acetic acid?
The InChIKey is OBAAFOUXBVWAIF-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H12FNO2/c15-11-8-6-10(7-9-11)13(14(17)18)16-12-4-2-1-3-5-12/h1-9,13,16H,(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-2-anilino-2-(4-fluorophenyl)acetic acid?
(2R)-2-anilino-2-(4-fluorophenyl)acetic acid has a molecular weight of 245.25 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-anilino-2-(4-fluorophenyl)acetic acid is sourced from PubChem (CID 28810428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).