N-(3-hydroxy-4-methylpentyl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide

C17H22F3NO3 — CID 111460702

IUPACN-(3-hydroxy-4-methylpentyl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
SMILESCC(C)C(O)CCNC(=O)C1CC1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H22F3NO3/c1-10(2)15(22)7-8-21-16(23)14-9-13(14)11-3-5-12(6-4-11)24-17(18,19)20/h3-6,10,13-15,22H,7-9H2,1-2H3,(H,21,23)
InChIKeyUAWPUJDGJACYSN-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.21
Rot. Bonds7

About N-(3-hydroxy-4-methylpentyl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide

N-(3-hydroxy-4-methylpentyl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide (PubChem CID 111460702) has the molecular formula C17H22F3NO3 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylpentyl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylpentyl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
PubChem CID111460702
Molecular FormulaC17H22F3NO3
Molecular Weight345.36 g/mol
Exact Mass345.16
IUPAC NameN-(3-hydroxy-4-methylpentyl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
SMILESCC(C)C(O)CCNC(=O)C1CC1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H22F3NO3/c1-10(2)15(22)7-8-21-16(23)14-9-13(14)11-3-5-12(6-4-11)24-17(18,19)20/h3-6,10,13-15,22H,7-9H2,1-2H3,(H,21,23)
InChIKeyUAWPUJDGJACYSN-UHFFFAOYSA-N
XLogP3.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid
CID 51888095
(1S)-1-[(1S,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanol
CID 124747303
N-(3-aminobutyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 119495241
2-methyl-N-[3-oxo-3-[2-[4-(trifluoromethoxy)phenyl]ethylamino]propyl]cyclopropane-1-carboxamide
CID 47043798
N-(3-aminobutyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119496644
N-[2-(methylamino)ethyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 119500317
(2R)-N-propyl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 130471039
(3S,4R)-N-(2-phenylethyl)-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 68609563
N-(3-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 111471582
N-(3-aminobutyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119497155
(1S)-1-[(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 29079367
(3S,4R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 46215623

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylpentyl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methylpentyl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide (CID 111460702) is N-(3-hydroxy-4-methylpentyl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methylpentyl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methylpentyl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide is CC(C)C(O)CCNC(=O)C1CC1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(3-hydroxy-4-methylpentyl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide?
The InChIKey is UAWPUJDGJACYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO3/c1-10(2)15(22)7-8-21-16(23)14-9-13(14)11-3-5-12(6-4-11)24-17(18,19)20/h3-6,10,13-15,22H,7-9H2,1-2H3,(H,21,23).
What are the key properties of N-(3-hydroxy-4-methylpentyl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide?
N-(3-hydroxy-4-methylpentyl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylpentyl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 111460702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).