N-(3,4-difluoro-5-propan-2-ylphenyl)-3,3-difluorocyclobutane-1-carboxamide

C14H15F4NO — CID 171760030

IUPACN-(3,4-difluoro-5-propan-2-ylphenyl)-3,3-difluorocyclobutane-1-carboxamide
SMILESCC(C)c1cc(NC(=O)C2CC(F)(F)C2)cc(F)c1F
InChIInChI=1S/C14H15F4NO/c1-7(2)10-3-9(4-11(15)12(10)16)19-13(20)8-5-14(17,18)6-8/h3-4,7-8H,5-6H2,1-2H3,(H,19,20)
InChIKeyPYZVNQUNVIYGDV-UHFFFAOYSA-N
MW289.27 g/mol
LogP4.07
Rot. Bonds3

About N-(3,4-difluoro-5-propan-2-ylphenyl)-3,3-difluorocyclobutane-1-carboxamide

N-(3,4-difluoro-5-propan-2-ylphenyl)-3,3-difluorocyclobutane-1-carboxamide (PubChem CID 171760030) has the molecular formula C14H15F4NO and a molecular weight of 289.27 g/mol. Its IUPAC name is N-(3,4-difluoro-5-propan-2-ylphenyl)-3,3-difluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluoro-5-propan-2-ylphenyl)-3,3-difluorocyclobutane-1-carboxamide
PubChem CID171760030
Molecular FormulaC14H15F4NO
Molecular Weight289.27 g/mol
Exact Mass289.11
IUPAC NameN-(3,4-difluoro-5-propan-2-ylphenyl)-3,3-difluorocyclobutane-1-carboxamide
SMILESCC(C)c1cc(NC(=O)C2CC(F)(F)C2)cc(F)c1F
InChIInChI=1S/C14H15F4NO/c1-7(2)10-3-9(4-11(15)12(10)16)19-13(20)8-5-14(17,18)6-8/h3-4,7-8H,5-6H2,1-2H3,(H,19,20)
InChIKeyPYZVNQUNVIYGDV-UHFFFAOYSA-N
XLogP4.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-difluoro-5-propan-2-ylphenyl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 171760060
3,3-difluoro-N-(3-methylphenyl)cyclobutane-1-carboxamide
CID 126781653
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 63005768
N-(3-chloro-4-methoxyphenyl)-3,3-difluorocyclobutane-1-carboxamide
CID 155823143
3,3-difluoro-N-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 155823176
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119708015
N-(3-fluoro-5-methylphenyl)cyclopropanecarboxamide
CID 79047928
N-(3,5-difluoro-4-iodophenyl)piperidine-4-carboxamide
CID 119312519
3-amino-N-(3,4,5-trifluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119707997
N-(3-fluoro-4-hydroxyphenyl)cyclopropanecarboxamide
CID 64780100
3-fluoro-3-methyl-N-phenylcyclobutane-1-carboxamide
CID 178058411
N-(3,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31786532

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluoro-5-propan-2-ylphenyl)-3,3-difluorocyclobutane-1-carboxamide?
The IUPAC name of N-(3,4-difluoro-5-propan-2-ylphenyl)-3,3-difluorocyclobutane-1-carboxamide (CID 171760030) is N-(3,4-difluoro-5-propan-2-ylphenyl)-3,3-difluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-(3,4-difluoro-5-propan-2-ylphenyl)-3,3-difluorocyclobutane-1-carboxamide?
The canonical SMILES for N-(3,4-difluoro-5-propan-2-ylphenyl)-3,3-difluorocyclobutane-1-carboxamide is CC(C)c1cc(NC(=O)C2CC(F)(F)C2)cc(F)c1F.
What is the InChIKey of N-(3,4-difluoro-5-propan-2-ylphenyl)-3,3-difluorocyclobutane-1-carboxamide?
The InChIKey is PYZVNQUNVIYGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4NO/c1-7(2)10-3-9(4-11(15)12(10)16)19-13(20)8-5-14(17,18)6-8/h3-4,7-8H,5-6H2,1-2H3,(H,19,20).
What are the key properties of N-(3,4-difluoro-5-propan-2-ylphenyl)-3,3-difluorocyclobutane-1-carboxamide?
N-(3,4-difluoro-5-propan-2-ylphenyl)-3,3-difluorocyclobutane-1-carboxamide has a molecular weight of 289.27 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluoro-5-propan-2-ylphenyl)-3,3-difluorocyclobutane-1-carboxamide is sourced from PubChem (CID 171760030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).