1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide

C17H20F3NO2 — CID 175949728

IUPAC1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide
SMILESCc1ccc(C2(C(F)(F)F)CC2)c(OC2(C(N)=O)CCCC2)c1
InChIInChI=1S/C17H20F3NO2/c1-11-4-5-12(15(8-9-15)17(18,19)20)13(10-11)23-16(14(21)22)6-2-3-7-16/h4-5,10H,2-3,6-9H2,1H3,(H2,21,22)
InChIKeyWTLFUQITWLFDBF-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.77
Rot. Bonds4

About 1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide

1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide (PubChem CID 175949728) has the molecular formula C17H20F3NO2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide
PubChem CID175949728
Molecular FormulaC17H20F3NO2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide
SMILESCc1ccc(C2(C(F)(F)F)CC2)c(OC2(C(N)=O)CCCC2)c1
InChIInChI=1S/C17H20F3NO2/c1-11-4-5-12(15(8-9-15)17(18,19)20)13(10-11)23-16(14(21)22)6-2-3-7-16/h4-5,10H,2-3,6-9H2,1H3,(H2,21,22)
InChIKeyWTLFUQITWLFDBF-UHFFFAOYSA-N
XLogP3.77
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methyl-2-spiro[3.3]heptan-2-ylphenoxy)cyclopropane-1-carboxamide
CID 175949736
1-(3,4-difluorophenoxy)cyclopentane-1-carboxamide
CID 82130018
N-[(6-amino-2-pyridinyl)sulfonyl]-7-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]heptanamide
CID 166963632
1-(2-methoxy-4-methylphenyl)cyclopentan-1-amine
CID 82396221
1-(3-bromophenoxy)cyclopentane-1-carboxamide
CID 82134789
1-[5-methyl-2-[3-(trifluoromethyl)phenyl]phenoxy]cyclopropane-1-carboxylic acid
CID 154940878
1-(3-propan-2-ylphenoxy)cyclohexane-1-carboxamide
CID 82133114
2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid
CID 82082492
N-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(1-methylcyclopropyl)phenoxy]cyclopropane-1-carboxamide
CID 156781889
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822
1-(5-methyl-2-nitrophenoxy)cyclopentan-1-ol
CID 67786788
4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene
CID 54396173

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide?
The IUPAC name of 1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide (CID 175949728) is 1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide is Cc1ccc(C2(C(F)(F)F)CC2)c(OC2(C(N)=O)CCCC2)c1.
What is the InChIKey of 1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide?
The InChIKey is WTLFUQITWLFDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO2/c1-11-4-5-12(15(8-9-15)17(18,19)20)13(10-11)23-16(14(21)22)6-2-3-7-16/h4-5,10H,2-3,6-9H2,1H3,(H2,21,22).
What are the key properties of 1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide?
1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide has a molecular weight of 327.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]cyclopentane-1-carboxamide is sourced from PubChem (CID 175949728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).