2-benzamido-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid

C19H18F3NO3 — CID 155933877

IUPAC2-benzamido-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1CCCC(F)(F)F)c1ccccc1
InChIInChI=1S/C19H18F3NO3/c20-19(21,22)12-6-10-13-7-4-5-11-15(13)16(18(25)26)23-17(24)14-8-2-1-3-9-14/h1-5,7-9,11,16H,6,10,12H2,(H,23,24)(H,25,26)
InChIKeyQZEWHYVBFZUFFX-UHFFFAOYSA-N
MW365.35 g/mol
LogP4.13
Rot. Bonds7

About 2-benzamido-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid

2-benzamido-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid (PubChem CID 155933877) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is 2-benzamido-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-benzamido-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid
PubChem CID155933877
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name2-benzamido-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1CCCC(F)(F)F)c1ccccc1
InChIInChI=1S/C19H18F3NO3/c20-19(21,22)12-6-10-13-7-4-5-11-15(13)16(18(25)26)23-17(24)14-8-2-1-3-9-14/h1-5,7-9,11,16H,6,10,12H2,(H,23,24)(H,25,26)
InChIKeyQZEWHYVBFZUFFX-UHFFFAOYSA-N
XLogP4.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzamido-2-[4-phenyl-2-(4,4,4-trifluorobutyl)phenyl]acetic acid
CID 155933876
2-benzamido-2-[5-methoxy-2-(4,4,4-trifluorobutyl)phenyl]acetic acid
CID 155933878
2-benzamido-2-[5-benzoyloxy-2-(4,4,4-trifluorobutyl)phenyl]acetic acid
CID 161124852
2-benzamido-2-(2-methylphenyl)acetic acid
CID 82092810
2-benzamido-2-[4-(carboxymethyl)phenyl]acetic acid
CID 19741702
2-[(3-fluorobenzoyl)amino]-2-(2-fluorophenyl)acetic acid
CID 75357523
N'-(4,4,4-trifluorobutanoyl)benzohydrazide
CID 171757992
3-benzamido-4,4,4-trifluorobutanoic acid
CID 3487458
(2R)-2-[(4-aminobenzoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315149
2,2-dibenzamidoacetic acid
CID 12521150
(2S)-2-benzamido-4-phenylbutanoic acid
CID 22824842
(2S)-2-benzamido-3-methoxypropanoic acid
CID 54400188

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid?
The IUPAC name of 2-benzamido-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid (CID 155933877) is 2-benzamido-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid.
What is the SMILES notation for 2-benzamido-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid?
The canonical SMILES for 2-benzamido-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid is O=C(NC(C(=O)O)c1ccccc1CCCC(F)(F)F)c1ccccc1.
What is the InChIKey of 2-benzamido-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid?
The InChIKey is QZEWHYVBFZUFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3/c20-19(21,22)12-6-10-13-7-4-5-11-15(13)16(18(25)26)23-17(24)14-8-2-1-3-9-14/h1-5,7-9,11,16H,6,10,12H2,(H,23,24)(H,25,26).
What are the key properties of 2-benzamido-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid?
2-benzamido-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid has a molecular weight of 365.35 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid is sourced from PubChem (CID 155933877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).