4-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]pentanoic acid

C19H18F3NO4 — CID 86195732

IUPAC4-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]pentanoic acid
SMILESCC(CCC(=O)O)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C19H18F3NO4/c1-12(9-10-17(24)25)27-14-6-4-5-13(11-14)23-18(26)15-7-2-3-8-16(15)19(20,21)22/h2-8,11-12H,9-10H2,1H3,(H,23,26)(H,24,25)
InChIKeyCOFDYISVPANWJS-UHFFFAOYSA-N
MW381.35 g/mol
LogP4.59
Rot. Bonds7

About 4-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]pentanoic acid

4-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]pentanoic acid (PubChem CID 86195732) has the molecular formula C19H18F3NO4 and a molecular weight of 381.35 g/mol. Its IUPAC name is 4-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]pentanoic acid.

Molecular Properties

Compound Name4-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]pentanoic acid
PubChem CID86195732
Molecular FormulaC19H18F3NO4
Molecular Weight381.35 g/mol
Exact Mass381.12
IUPAC Name4-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]pentanoic acid
SMILESCC(CCC(=O)O)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C19H18F3NO4/c1-12(9-10-17(24)25)27-14-6-4-5-13(11-14)23-18(26)15-7-2-3-8-16(15)19(20,21)22/h2-8,11-12H,9-10H2,1H3,(H,23,26)(H,24,25)
InChIKeyCOFDYISVPANWJS-UHFFFAOYSA-N
XLogP4.59
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[2-(trifluoromethyl)benzoyl]amino]phenyl] hydrogen sulfate
CID 71328026
(4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 95359045
N-(3-methylphenyl)-2-(trifluoromethyl)benzamide
CID 846758
N-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 1259866
N-(3-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 139177364
4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 82009837
N-(3-aminophenyl)-2-(trifluoromethyl)benzamide
CID 16774950
4-(3-acetylphenoxy)pentanoic acid
CID 62213253
[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid
CID 18543447
(2S,3S)-2-amino-3-[[3-[[2-(trifluoromethyl)benzoyl]amino]phenyl]methoxy]butanedioic acid
CID 132820245
4-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]butanoic acid
CID 134086672
5-oxo-5-(3-propan-2-yloxyanilino)pentanoic acid
CID 17154732

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]pentanoic acid?
The IUPAC name of 4-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]pentanoic acid (CID 86195732) is 4-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]pentanoic acid.
What is the SMILES notation for 4-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]pentanoic acid?
The canonical SMILES for 4-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]pentanoic acid is CC(CCC(=O)O)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 4-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]pentanoic acid?
The InChIKey is COFDYISVPANWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO4/c1-12(9-10-17(24)25)27-14-6-4-5-13(11-14)23-18(26)15-7-2-3-8-16(15)19(20,21)22/h2-8,11-12H,9-10H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 4-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]pentanoic acid?
4-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]pentanoic acid has a molecular weight of 381.35 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]pentanoic acid is sourced from PubChem (CID 86195732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).