N-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide

C17H14F3NO — CID 110445847

IUPACN-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide
SMILESO=C(NC1(c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3NO/c18-17(19,20)14-8-6-12(7-9-14)15(22)21-16(10-11-16)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,21,22)
InChIKeyJIANWJQLTYPVNT-UHFFFAOYSA-N
MW305.30 g/mol
LogP4.12
Rot. Bonds3

About N-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide

N-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide (PubChem CID 110445847) has the molecular formula C17H14F3NO and a molecular weight of 305.30 g/mol. Its IUPAC name is N-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide
PubChem CID110445847
Molecular FormulaC17H14F3NO
Molecular Weight305.30 g/mol
Exact Mass305.10
IUPAC NameN-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide
SMILESO=C(NC1(c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3NO/c18-17(19,20)14-8-6-12(7-9-14)15(22)21-16(10-11-16)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,21,22)
InChIKeyJIANWJQLTYPVNT-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-fluorophenyl)cyclobutyl]-4-(trifluoromethyl)benzamide
CID 110445857
1-[[4-(trifluoromethyl)benzoyl]amino]cyclopropane-1-carboxylic acid
CID 65451385
1-methyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea
CID 110490845
(3S,4R)-N-(1-phenylcyclopropyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46215442
4-N,4-N-dicyclohexyl-1-N-(1-phenylcyclopropyl)benzene-1,4-dicarboxamide
CID 3923780
3,4-dichloro-N-(1-phenylcyclopropyl)benzamide
CID 110444165
N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]buta-2,3-dienamide
CID 176536815
2-hydroxy-N-(1-phenylcyclopropyl)benzamide
CID 110485071
1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 45427620
4-fluoro-N-(3-phenyloxetan-3-yl)benzamide
CID 139015652
4-amino-3-methyl-N-(1-phenylcyclopropyl)benzamide
CID 110464061
4-[1-[[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3H-indole-7-carbonyl]amino]cyclopropyl]benzoic acid
CID 58297676

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide (CID 110445847) is N-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide is O=C(NC1(c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide?
The InChIKey is JIANWJQLTYPVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO/c18-17(19,20)14-8-6-12(7-9-14)15(22)21-16(10-11-16)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,21,22).
What are the key properties of N-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide?
N-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide has a molecular weight of 305.30 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 110445847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).