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

C16H15F2NO2 — CID 115524516

IUPAC2-[4-(difluoromethyl)phenyl]-2-(2-methylanilino)acetic acid
SMILESCc1ccccc1NC(C(=O)O)c1ccc(C(F)F)cc1
InChIInChI=1S/C16H15F2NO2/c1-10-4-2-3-5-13(10)19-14(16(20)21)11-6-8-12(9-7-11)15(17)18/h2-9,14-15,19H,1H3,(H,20,21)
InChIKeyHLRLMGPMFDUEHS-UHFFFAOYSA-N
MW291.30 g/mol
LogP4.17
Rot. Bonds5

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

2-[4-(difluoromethyl)phenyl]-2-(2-methylanilino)acetic acid (PubChem CID 115524516) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)phenyl]-2-(2-methylanilino)acetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethyl)phenyl]-2-(2-methylanilino)acetic acid
PubChem CID115524516
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2-[4-(difluoromethyl)phenyl]-2-(2-methylanilino)acetic acid
SMILESCc1ccccc1NC(C(=O)O)c1ccc(C(F)F)cc1
InChIInChI=1S/C16H15F2NO2/c1-10-4-2-3-5-13(10)19-14(16(20)21)11-6-8-12(9-7-11)15(17)18/h2-9,14-15,19H,1H3,(H,20,21)
InChIKeyHLRLMGPMFDUEHS-UHFFFAOYSA-N
XLogP4.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-methylphenyl)-2-(2-methylanilino)acetic acid
CID 105401888
2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetic acid
CID 106817671
2-(3-hydroxy-4-methoxyphenyl)-2-(2-methylanilino)acetic acid
CID 60990827
2-(3-chloro-4-methoxyphenyl)-2-(2-methylanilino)acetic acid
CID 65026303
2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetic acid
CID 114843653
(2R)-2-(4-chlorophenyl)-2-(2-methylanilino)acetate
CID 7148181
2-(4-chlorophenyl)-2-(2-fluoroanilino)acetic acid
CID 2757785
2-[2-(difluoromethylsulfanyl)anilino]-2-phenylacetic acid
CID 103232609
methyl 2-[(R)-(2-methylanilino)-phenylmethyl]prop-2-enoate
CID 138968921
2-[3-(difluoromethyl)phenyl]-2-(2-fluoroanilino)acetic acid
CID 115527074
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid
CID 7148292
2-(5-fluoro-2-hydroxyphenyl)-2-(2-methylanilino)acetic acid
CID 107698154

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)phenyl]-2-(2-methylanilino)acetic acid?
The IUPAC name of 2-[4-(difluoromethyl)phenyl]-2-(2-methylanilino)acetic acid (CID 115524516) is 2-[4-(difluoromethyl)phenyl]-2-(2-methylanilino)acetic acid.
What is the SMILES notation for 2-[4-(difluoromethyl)phenyl]-2-(2-methylanilino)acetic acid?
The canonical SMILES for 2-[4-(difluoromethyl)phenyl]-2-(2-methylanilino)acetic acid is Cc1ccccc1NC(C(=O)O)c1ccc(C(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethyl)phenyl]-2-(2-methylanilino)acetic acid?
The InChIKey is HLRLMGPMFDUEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-10-4-2-3-5-13(10)19-14(16(20)21)11-6-8-12(9-7-11)15(17)18/h2-9,14-15,19H,1H3,(H,20,21).
What are the key properties of 2-[4-(difluoromethyl)phenyl]-2-(2-methylanilino)acetic acid?
2-[4-(difluoromethyl)phenyl]-2-(2-methylanilino)acetic acid has a molecular weight of 291.30 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)phenyl]-2-(2-methylanilino)acetic acid is sourced from PubChem (CID 115524516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).