3,3,3-trifluoropropyl 2-benzamidobenzoate

C17H14F3NO3 — CID 9451697

IUPAC3,3,3-trifluoropropyl 2-benzamidobenzoate
SMILESO=C(Nc1ccccc1C(=O)OCCC(F)(F)F)c1ccccc1
InChIInChI=1S/C17H14F3NO3/c18-17(19,20)10-11-24-16(23)13-8-4-5-9-14(13)21-15(22)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,21,22)
InChIKeyFKWSMHJTLYQQOD-UHFFFAOYSA-N
MW337.30 g/mol
LogP4.05
Rot. Bonds5

About 3,3,3-trifluoropropyl 2-benzamidobenzoate

3,3,3-trifluoropropyl 2-benzamidobenzoate (PubChem CID 9451697) has the molecular formula C17H14F3NO3 and a molecular weight of 337.30 g/mol. Its IUPAC name is 3,3,3-trifluoropropyl 2-benzamidobenzoate.

Molecular Properties

Compound Name3,3,3-trifluoropropyl 2-benzamidobenzoate
PubChem CID9451697
Molecular FormulaC17H14F3NO3
Molecular Weight337.30 g/mol
Exact Mass337.09
IUPAC Name3,3,3-trifluoropropyl 2-benzamidobenzoate
SMILESO=C(Nc1ccccc1C(=O)OCCC(F)(F)F)c1ccccc1
InChIInChI=1S/C17H14F3NO3/c18-17(19,20)10-11-24-16(23)13-8-4-5-9-14(13)21-15(22)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,21,22)
InChIKeyFKWSMHJTLYQQOD-UHFFFAOYSA-N
XLogP4.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoropropyl 2-benzamidobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzamidobenzamide
CID 702115
(4-iodophenyl)methyl 2-benzamidobenzoate
CID 4601230
[2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 4576263
(4-carbamoylphenyl)methyl 2-benzamidobenzoate
CID 17410103
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]benzoate
CID 7835862
(2-benzamido-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]benzoate
CID 30221163
[3-(2-benzamidobenzoyl)oxyphenyl] 2-benzamidobenzoate
CID 154371121
[(2R)-oxolan-2-yl]methyl 2-benzamidobenzoate
CID 40820524
butyl 2-[(3-methoxycarbonylbenzoyl)amino]benzoate
CID 108786656

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoropropyl 2-benzamidobenzoate?
The IUPAC name of 3,3,3-trifluoropropyl 2-benzamidobenzoate (CID 9451697) is 3,3,3-trifluoropropyl 2-benzamidobenzoate.
What is the SMILES notation for 3,3,3-trifluoropropyl 2-benzamidobenzoate?
The canonical SMILES for 3,3,3-trifluoropropyl 2-benzamidobenzoate is O=C(Nc1ccccc1C(=O)OCCC(F)(F)F)c1ccccc1.
What is the InChIKey of 3,3,3-trifluoropropyl 2-benzamidobenzoate?
The InChIKey is FKWSMHJTLYQQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO3/c18-17(19,20)10-11-24-16(23)13-8-4-5-9-14(13)21-15(22)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,21,22).
What are the key properties of 3,3,3-trifluoropropyl 2-benzamidobenzoate?
3,3,3-trifluoropropyl 2-benzamidobenzoate has a molecular weight of 337.30 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoropropyl 2-benzamidobenzoate is sourced from PubChem (CID 9451697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).