N-cyclohexyl-4,4-difluoro-2-methyl-2-(4-methylphenyl)butanamide

C18H25F2NO — CID 102503438

IUPACN-cyclohexyl-4,4-difluoro-2-methyl-2-(4-methylphenyl)butanamide
SMILESCc1ccc(C(C)(CC(F)F)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H25F2NO/c1-13-8-10-14(11-9-13)18(2,12-16(19)20)17(22)21-15-6-4-3-5-7-15/h8-11,15-16H,3-7,12H2,1-2H3,(H,21,22)
InChIKeyNTLQYTATFXVOLT-UHFFFAOYSA-N
MW309.40 g/mol
LogP4.36
Rot. Bonds5

About N-cyclohexyl-4,4-difluoro-2-methyl-2-(4-methylphenyl)butanamide

N-cyclohexyl-4,4-difluoro-2-methyl-2-(4-methylphenyl)butanamide (PubChem CID 102503438) has the molecular formula C18H25F2NO and a molecular weight of 309.40 g/mol. Its IUPAC name is N-cyclohexyl-4,4-difluoro-2-methyl-2-(4-methylphenyl)butanamide.

Molecular Properties

Compound NameN-cyclohexyl-4,4-difluoro-2-methyl-2-(4-methylphenyl)butanamide
PubChem CID102503438
Molecular FormulaC18H25F2NO
Molecular Weight309.40 g/mol
Exact Mass309.19
IUPAC NameN-cyclohexyl-4,4-difluoro-2-methyl-2-(4-methylphenyl)butanamide
SMILESCc1ccc(C(C)(CC(F)F)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H25F2NO/c1-13-8-10-14(11-9-13)18(2,12-16(19)20)17(22)21-15-6-4-3-5-7-15/h8-11,15-16H,3-7,12H2,1-2H3,(H,21,22)
InChIKeyNTLQYTATFXVOLT-UHFFFAOYSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4,4-difluoro-2-methyl-2-(4-methylphenyl)butanamide?
The IUPAC name of N-cyclohexyl-4,4-difluoro-2-methyl-2-(4-methylphenyl)butanamide (CID 102503438) is N-cyclohexyl-4,4-difluoro-2-methyl-2-(4-methylphenyl)butanamide.
What is the SMILES notation for N-cyclohexyl-4,4-difluoro-2-methyl-2-(4-methylphenyl)butanamide?
The canonical SMILES for N-cyclohexyl-4,4-difluoro-2-methyl-2-(4-methylphenyl)butanamide is Cc1ccc(C(C)(CC(F)F)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4,4-difluoro-2-methyl-2-(4-methylphenyl)butanamide?
The InChIKey is NTLQYTATFXVOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2NO/c1-13-8-10-14(11-9-13)18(2,12-16(19)20)17(22)21-15-6-4-3-5-7-15/h8-11,15-16H,3-7,12H2,1-2H3,(H,21,22).
What are the key properties of N-cyclohexyl-4,4-difluoro-2-methyl-2-(4-methylphenyl)butanamide?
N-cyclohexyl-4,4-difluoro-2-methyl-2-(4-methylphenyl)butanamide has a molecular weight of 309.40 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4,4-difluoro-2-methyl-2-(4-methylphenyl)butanamide is sourced from PubChem (CID 102503438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).