3,4,5-trifluoro-N-(1-phenylpropyl)benzamide

C16H14F3NO — CID 63189526

IUPAC3,4,5-trifluoro-N-(1-phenylpropyl)benzamide
SMILESCCC(NC(=O)c1cc(F)c(F)c(F)c1)c1ccccc1
InChIInChI=1S/C16H14F3NO/c1-2-14(10-6-4-3-5-7-10)20-16(21)11-8-12(17)15(19)13(18)9-11/h3-9,14H,2H2,1H3,(H,20,21)
InChIKeyBBMPKLHTWVGTQE-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.98
Rot. Bonds4

About 3,4,5-trifluoro-N-(1-phenylpropyl)benzamide

3,4,5-trifluoro-N-(1-phenylpropyl)benzamide (PubChem CID 63189526) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-(1-phenylpropyl)benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-(1-phenylpropyl)benzamide
PubChem CID63189526
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name3,4,5-trifluoro-N-(1-phenylpropyl)benzamide
SMILESCCC(NC(=O)c1cc(F)c(F)c(F)c1)c1ccccc1
InChIInChI=1S/C16H14F3NO/c1-2-14(10-6-4-3-5-7-10)20-16(21)11-8-12(17)15(19)13(18)9-11/h3-9,14H,2H2,1H3,(H,20,21)
InChIKeyBBMPKLHTWVGTQE-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3,4,5-trifluoro-N-(1-phenylpropyl)benzamide 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

3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772740
N-(2-chloro-1-phenylethyl)-3,4,5-trifluorobenzamide
CID 114300143
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
3,4,5-trifluoro-N-(1-phenylethyl)benzamide
CID 63188112
3-hydroxy-N-(1-phenylpropyl)benzamide
CID 55057527
3-bromo-5-iodo-N-[(1R)-1-phenylpropyl]benzamide
CID 170766371
3-amino-5-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzamide
CID 107861714
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920
3-amino-2,6-difluoro-N-(1-phenylpropyl)benzamide
CID 79760394
methyl 3-(1-phenylpropylcarbamoyl)benzoate
CID 43911594
3-amino-4-methyl-N-(1-phenylpropyl)benzamide
CID 62304004

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-(1-phenylpropyl)benzamide?
The IUPAC name of 3,4,5-trifluoro-N-(1-phenylpropyl)benzamide (CID 63189526) is 3,4,5-trifluoro-N-(1-phenylpropyl)benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-(1-phenylpropyl)benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-(1-phenylpropyl)benzamide is CCC(NC(=O)c1cc(F)c(F)c(F)c1)c1ccccc1.
What is the InChIKey of 3,4,5-trifluoro-N-(1-phenylpropyl)benzamide?
The InChIKey is BBMPKLHTWVGTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c1-2-14(10-6-4-3-5-7-10)20-16(21)11-8-12(17)15(19)13(18)9-11/h3-9,14H,2H2,1H3,(H,20,21).
What are the key properties of 3,4,5-trifluoro-N-(1-phenylpropyl)benzamide?
3,4,5-trifluoro-N-(1-phenylpropyl)benzamide has a molecular weight of 293.29 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-(1-phenylpropyl)benzamide is sourced from PubChem (CID 63189526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).