1-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C17H13ClF3NO — CID 113198387

IUPAC1-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H13ClF3NO/c18-12-7-5-11(6-8-12)16(9-10-16)15(23)22-14-4-2-1-3-13(14)17(19,20)21/h1-8H,9-10H2,(H,22,23)
InChIKeyOXPVZQIWNAMACS-UHFFFAOYSA-N
MW339.74 g/mol
LogP5.03
Rot. Bonds3

About 1-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 113198387) has the molecular formula C17H13ClF3NO and a molecular weight of 339.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID113198387
Molecular FormulaC17H13ClF3NO
Molecular Weight339.74 g/mol
Exact Mass339.06
IUPAC Name1-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H13ClF3NO/c18-12-7-5-11(6-8-12)16(9-10-16)15(23)22-14-4-2-1-3-13(14)17(19,20)21/h1-8H,9-10H2,(H,22,23)
InChIKeyOXPVZQIWNAMACS-UHFFFAOYSA-N
XLogP5.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.74
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylcyclopentane-1-carboxamide
CID 4135962
1-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 15989037
N-(2-tert-butylphenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 113198352
1-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 26357521
3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19220927
1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 727784
1-amino-N-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81167254
N-(4-chloro-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 7914599
1-(4-chlorophenyl)-N-(3-fluoro-4-pyridinyl)cyclopropane-1-carboxamide
CID 167778730
3-[(4-chlorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109021889
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
N-[2-(trifluoromethyl)phenyl]carbamoyl chloride
CID 84820766

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 113198387) is 1-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccccc1C(F)(F)F)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is OXPVZQIWNAMACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3NO/c18-12-7-5-11(6-8-12)16(9-10-16)15(23)22-14-4-2-1-3-13(14)17(19,20)21/h1-8H,9-10H2,(H,22,23).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 339.74 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 113198387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).