1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C17H14F3NO — CID 2526231

IUPAC1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H14F3NO/c18-17(19,20)13-7-4-8-14(11-13)21-15(22)16(9-10-16)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,21,22)
InChIKeyWKXTZHRKWSBHGU-UHFFFAOYSA-N
MW305.30 g/mol
LogP4.38
Rot. Bonds3

About 1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 2526231) has the molecular formula C17H14F3NO and a molecular weight of 305.30 g/mol. Its IUPAC name is 1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID2526231
Molecular FormulaC17H14F3NO
Molecular Weight305.30 g/mol
Exact Mass305.10
IUPAC Name1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H14F3NO/c18-17(19,20)13-7-4-8-14(11-13)21-15(22)16(9-10-16)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,21,22)
InChIKeyWKXTZHRKWSBHGU-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-acetyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 39888148
2,2-dichloro-1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 2832397
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 113198749
1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 4782994
3-[(1-phenylcyclopropanecarbonyl)amino]benzamide
CID 51152911
N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 166186372
1,2,2,3-tetramethyl-3-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 4729479
2-methyl-3-[4-[[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]phenyl]propanoic acid
CID 120540782
N-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
CID 16558552
1-N-(4-fluorophenyl)-1-N'-[3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982389
N-(3-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 60567198
(1R,4S)-3,3-dimethyl-2-oxo-N-[3-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-1-carboxamide
CID 98137589

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 2526231) is 1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)C1(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is WKXTZHRKWSBHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO/c18-17(19,20)13-7-4-8-14(11-13)21-15(22)16(9-10-16)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,21,22).
What are the key properties of 1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 2526231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).