3,3-difluoro-N-(3-methylphenyl)cyclobutane-1-carboxamide

C12H13F2NO — CID 126781653

IUPAC3,3-difluoro-N-(3-methylphenyl)cyclobutane-1-carboxamide
SMILESCc1cccc(NC(=O)C2CC(F)(F)C2)c1
InChIInChI=1S/C12H13F2NO/c1-8-3-2-4-10(5-8)15-11(16)9-6-12(13,14)7-9/h2-5,9H,6-7H2,1H3,(H,15,16)
InChIKeyLXVWKIBVMVGDFD-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.98
Rot. Bonds2

About 3,3-difluoro-N-(3-methylphenyl)cyclobutane-1-carboxamide

3,3-difluoro-N-(3-methylphenyl)cyclobutane-1-carboxamide (PubChem CID 126781653) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is 3,3-difluoro-N-(3-methylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-(3-methylphenyl)cyclobutane-1-carboxamide
PubChem CID126781653
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3,3-difluoro-N-(3-methylphenyl)cyclobutane-1-carboxamide
SMILESCc1cccc(NC(=O)C2CC(F)(F)C2)c1
InChIInChI=1S/C12H13F2NO/c1-8-3-2-4-10(5-8)15-11(16)9-6-12(13,14)7-9/h2-5,9H,6-7H2,1H3,(H,15,16)
InChIKeyLXVWKIBVMVGDFD-UHFFFAOYSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150418
3,3-difluoro-N-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 155823176
N-(3-methylphenyl)-1,1-dioxothiane-4-carboxamide
CID 110856707
4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150441
N-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide
CID 112985938
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
1-N-cyclohexyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146142
1-N-(4-methoxyphenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150432
4-N-(3-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144346
1-N-(4-cyanophenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150457
N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17453629
(3S)-N-(3-methylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 8871781

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(3-methylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-(3-methylphenyl)cyclobutane-1-carboxamide (CID 126781653) is 3,3-difluoro-N-(3-methylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-(3-methylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-(3-methylphenyl)cyclobutane-1-carboxamide is Cc1cccc(NC(=O)C2CC(F)(F)C2)c1.
What is the InChIKey of 3,3-difluoro-N-(3-methylphenyl)cyclobutane-1-carboxamide?
The InChIKey is LXVWKIBVMVGDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c1-8-3-2-4-10(5-8)15-11(16)9-6-12(13,14)7-9/h2-5,9H,6-7H2,1H3,(H,15,16).
What are the key properties of 3,3-difluoro-N-(3-methylphenyl)cyclobutane-1-carboxamide?
3,3-difluoro-N-(3-methylphenyl)cyclobutane-1-carboxamide has a molecular weight of 225.24 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(3-methylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 126781653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).