1-(4-tert-butyl-3,5-difluorophenyl)cyclopropane-1-carboxamide

C14H17F2NO — CID 176770908

IUPAC1-(4-tert-butyl-3,5-difluorophenyl)cyclopropane-1-carboxamide
SMILESCC(C)(C)c1c(F)cc(C2(C(N)=O)CC2)cc1F
InChIInChI=1S/C14H17F2NO/c1-13(2,3)11-9(15)6-8(7-10(11)16)14(4-5-14)12(17)18/h6-7H,4-5H2,1-3H3,(H2,17,18)
InChIKeyVJPWSNYFPDKOAS-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.78
Rot. Bonds2

About 1-(4-tert-butyl-3,5-difluorophenyl)cyclopropane-1-carboxamide

1-(4-tert-butyl-3,5-difluorophenyl)cyclopropane-1-carboxamide (PubChem CID 176770908) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 1-(4-tert-butyl-3,5-difluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butyl-3,5-difluorophenyl)cyclopropane-1-carboxamide
PubChem CID176770908
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name1-(4-tert-butyl-3,5-difluorophenyl)cyclopropane-1-carboxamide
SMILESCC(C)(C)c1c(F)cc(C2(C(N)=O)CC2)cc1F
InChIInChI=1S/C14H17F2NO/c1-13(2,3)11-9(15)6-8(7-10(11)16)14(4-5-14)12(17)18/h6-7H,4-5H2,1-3H3,(H2,17,18)
InChIKeyVJPWSNYFPDKOAS-UHFFFAOYSA-N
XLogP2.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-ditert-butyl-4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 57164668
ethane;1-(4-hydroxyphenyl)cyclopropane-1-carboxamide
CID 143988674
1-(3-amino-4,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117112290
1-phenylcyclopropane-1-carboxamide;hydrochloride
CID 57461944
1-(4-bromo-3,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 84811106
1-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 141281979
1-(2,4,5-trifluorophenyl)cyclobutane-1-carboxamide
CID 129032674
1-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropane-1-carboxamide
CID 156893243
1-(3-fluoro-5-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 171833161
1-[4-[(2E)-2-[(1S)-1-amino-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]phenyl]cyclopropane-1-carboxamide
CID 143468168
1-(2,6-dichloro-3-fluorophenyl)cyclopropane-1-carboxamide
CID 141447851
1-(3-chloro-5-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117333149

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-3,5-difluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-tert-butyl-3,5-difluorophenyl)cyclopropane-1-carboxamide (CID 176770908) is 1-(4-tert-butyl-3,5-difluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-tert-butyl-3,5-difluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-tert-butyl-3,5-difluorophenyl)cyclopropane-1-carboxamide is CC(C)(C)c1c(F)cc(C2(C(N)=O)CC2)cc1F.
What is the InChIKey of 1-(4-tert-butyl-3,5-difluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is VJPWSNYFPDKOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-13(2,3)11-9(15)6-8(7-10(11)16)14(4-5-14)12(17)18/h6-7H,4-5H2,1-3H3,(H2,17,18).
What are the key properties of 1-(4-tert-butyl-3,5-difluorophenyl)cyclopropane-1-carboxamide?
1-(4-tert-butyl-3,5-difluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 253.29 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-3,5-difluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 176770908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).