1-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide

C16H11ClF3NO — CID 26357521

IUPAC1-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H11ClF3NO/c17-10-3-1-9(2-4-10)16(7-8-16)15(22)21-12-6-5-11(18)13(19)14(12)20/h1-6H,7-8H2,(H,21,22)
InChIKeyWAIOESJLAIGUMD-UHFFFAOYSA-N
MW325.72 g/mol
LogP4.43
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide (PubChem CID 26357521) has the molecular formula C16H11ClF3NO and a molecular weight of 325.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
PubChem CID26357521
Molecular FormulaC16H11ClF3NO
Molecular Weight325.72 g/mol
Exact Mass325.05
IUPAC Name1-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H11ClF3NO/c17-10-3-1-9(2-4-10)16(7-8-16)15(22)21-12-6-5-11(18)13(19)14(12)20/h1-6H,7-8H2,(H,21,22)
InChIKeyWAIOESJLAIGUMD-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.72
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8589539
N-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 134002638
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
1-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 113198387
N-(4-bromo-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 112790088
N-(5-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 134022500
N-(2-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 86857924
1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 99706799
1-(1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 113209255
N-(2,3,4-trifluorophenyl)carbamoyl chloride
CID 135378895
1-(4-chlorophenyl)cyclopropane-1-carbonyl fluoride
CID 20724884

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide (CID 26357521) is 1-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(F)c(F)c1F)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is WAIOESJLAIGUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3NO/c17-10-3-1-9(2-4-10)16(7-8-16)15(22)21-12-6-5-11(18)13(19)14(12)20/h1-6H,7-8H2,(H,21,22).
What are the key properties of 1-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 325.72 g/mol, XLogP of 4.43, 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-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 26357521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).