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

C16H13F3N2O — CID 134009742

IUPACN-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccncc1)C1CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3N2O/c17-16(18,19)11-3-1-10(2-4-11)13-9-14(13)15(22)21-12-5-7-20-8-6-12/h1-8,13-14H,9H2,(H,20,21,22)
InChIKeyJZPBCFCLUKPUFP-UHFFFAOYSA-N
MW306.29 g/mol
LogP3.84
Rot. Bonds3

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

N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 134009742) has the molecular formula C16H13F3N2O and a molecular weight of 306.29 g/mol. Its IUPAC name is N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID134009742
Molecular FormulaC16H13F3N2O
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC NameN-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccncc1)C1CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3N2O/c17-16(18,19)11-3-1-10(2-4-11)13-9-14(13)15(22)21-12-5-7-20-8-6-12/h1-8,13-14H,9H2,(H,20,21,22)
InChIKeyJZPBCFCLUKPUFP-UHFFFAOYSA-N
XLogP3.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 843468
4-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
CID 134055582
N-(3-acetamido-4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134050960
N-tert-butyl-3-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
CID 78890969
2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 45352995
N-(2-imidazol-1-ylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78899801
N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134009889
N-(4-bromo-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112835572
1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone
CID 93025354
cis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93346846
(2R)-N-propyl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 130471039
4-methyl-N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 138996912

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 134009742) is N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccncc1)C1CC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is JZPBCFCLUKPUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O/c17-16(18,19)11-3-1-10(2-4-11)13-9-14(13)15(22)21-12-5-7-20-8-6-12/h1-8,13-14H,9H2,(H,20,21,22).
What are the key properties of N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 306.29 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134009742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).