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

C17H13ClF3NO — CID 843468

IUPACtrans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClF3NO/c18-12-5-1-10(2-6-12)14-9-15(14)16(23)22-13-7-3-11(4-8-13)17(19,20)21/h1-8,14-15H,9H2,(H,22,23)/t14-,15+/m0/s1
InChIKeyHVMXZGIQRXDUIE-LSDHHAIUSA-N
MW339.74 g/mol
LogP5.10
Rot. Bonds3

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

trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 843468) has the molecular formula C17H13ClF3NO and a molecular weight of 339.74 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID843468
Molecular FormulaC17H13ClF3NO
Molecular Weight339.74 g/mol
Exact Mass339.06
IUPAC Nametrans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClF3NO/c18-12-5-1-10(2-6-12)14-9-15(14)16(23)22-13-7-3-11(4-8-13)17(19,20)21/h1-8,14-15H,9H2,(H,22,23)/t14-,15+/m0/s1
InChIKeyHVMXZGIQRXDUIE-LSDHHAIUSA-N
XLogP5.10
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 ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134009742
4-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
CID 134055582
2-(4-chlorophenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide
CID 16719292
N-(3-acetamido-4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134050960
5-chloro-2-hydroxy-N'-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide
CID 134009998
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
2-(4-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 19346838
cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 96564449
cis-(1S,2R)-N-[3-(carbamoylamino)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 95979513
cis-(1S,2R)-2-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 95760685
N-(4-bromo-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112835572
N-tert-butyl-3-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
CID 78890969

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 843468) is trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is HVMXZGIQRXDUIE-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H13ClF3NO/c18-12-5-1-10(2-6-12)14-9-15(14)16(23)22-13-7-3-11(4-8-13)17(19,20)21/h1-8,14-15H,9H2,(H,22,23)/t14-,15+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 339.74 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 843468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).