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

C14H16F3NO2 — CID 78856627

IUPACN-(1-hydroxypropan-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCC(CO)NC(=O)C1CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO2/c1-8(7-19)18-13(20)12-6-11(12)9-2-4-10(5-3-9)14(15,16)17/h2-5,8,11-12,19H,6-7H2,1H3,(H,18,20)
InChIKeyDMZGJDNNXLCZHA-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.31
Rot. Bonds4

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

N-(1-hydroxypropan-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 78856627) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID78856627
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC NameN-(1-hydroxypropan-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCC(CO)NC(=O)C1CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO2/c1-8(7-19)18-13(20)12-6-11(12)9-2-4-10(5-3-9)14(15,16)17/h2-5,8,11-12,19H,6-7H2,1H3,(H,18,20)
InChIKeyDMZGJDNNXLCZHA-UHFFFAOYSA-N
XLogP2.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-propyl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 130471039
1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone
CID 93025354
N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134009742
2-(4-bromophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclopropane-1-carboxamide
CID 75512145
trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 843468
2-pyridin-3-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 49323730
1-[(2S)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 51983515
N-(4-bromobutan-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 83180682
methoxymethylazanide;2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 159697418
N-(4-bromo-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112835572
2-phenyl-N-(4-phenylbutan-2-yl)cyclopropane-1-carboxamide
CID 4072324
methyl (3S)-3-[[(1R,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]butanoate
CID 124819235

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 78856627) is N-(1-hydroxypropan-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is CC(CO)NC(=O)C1CC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is DMZGJDNNXLCZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-8(7-19)18-13(20)12-6-11(12)9-2-4-10(5-3-9)14(15,16)17/h2-5,8,11-12,19H,6-7H2,1H3,(H,18,20).
What are the key properties of N-(1-hydroxypropan-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-(1-hydroxypropan-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 78856627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).