2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid

C16H16FNO2 — CID 82021415

IUPAC2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid
SMILESCc1cc(C)cc(NC(C(=O)O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H16FNO2/c1-10-7-11(2)9-14(8-10)18-15(16(19)20)12-3-5-13(17)6-4-12/h3-9,15,18H,1-2H3,(H,19,20)
InChIKeyDDXHPKLUZHLCFF-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.68
Rot. Bonds4

About 2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid

2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid (PubChem CID 82021415) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid
PubChem CID82021415
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid
SMILESCc1cc(C)cc(NC(C(=O)O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H16FNO2/c1-10-7-11(2)9-14(8-10)18-15(16(19)20)12-3-5-13(17)6-4-12/h3-9,15,18H,1-2H3,(H,19,20)
InChIKeyDDXHPKLUZHLCFF-UHFFFAOYSA-N
XLogP3.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-2-(3-fluoro-5-methylanilino)acetic acid
CID 79049348
(2R)-2-(4-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid
CID 7148164
2-(4-ethylphenyl)-2-(3-fluoro-5-methylanilino)acetic acid
CID 79044647
2-(3-fluoro-5-methylanilino)-2-(3-fluoro-4-methylphenyl)acetic acid
CID 79044455
(2R)-2-anilino-2-(4-fluorophenyl)acetic acid
CID 28810428
2-(3-fluoro-5-methylanilino)-2-(6-methyl-3-pyridinyl)acetic acid
CID 104822625
2-(3-fluoroanilino)-2-(4-fluorophenyl)acetic acid
CID 54890833
2-[4-(difluoromethyl)phenyl]-2-(4-fluoroanilino)acetic acid
CID 115524519
2-(4-fluoroanilino)-2-(4-methylsulfanylphenyl)acetic acid
CID 60991973
(2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid
CID 7152583
2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991336
2-(3-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid
CID 174705607

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid?
The IUPAC name of 2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid (CID 82021415) is 2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid?
The canonical SMILES for 2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid is Cc1cc(C)cc(NC(C(=O)O)c2ccc(F)cc2)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid?
The InChIKey is DDXHPKLUZHLCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-10-7-11(2)9-14(8-10)18-15(16(19)20)12-3-5-13(17)6-4-12/h3-9,15,18H,1-2H3,(H,19,20).
What are the key properties of 2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid?
2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid has a molecular weight of 273.31 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid is sourced from PubChem (CID 82021415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).