N-(2-benzylcyclohexyl)-2,2-difluoroacetamide

C15H19F2NO — CID 167792579

IUPACN-(2-benzylcyclohexyl)-2,2-difluoroacetamide
SMILESO=C(NC1CCCCC1Cc1ccccc1)C(F)F
InChIInChI=1S/C15H19F2NO/c16-14(17)15(19)18-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,12-14H,4-5,8-10H2,(H,18,19)
InChIKeyLFVALVJILLQGDP-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.17
Rot. Bonds4

About N-(2-benzylcyclohexyl)-2,2-difluoroacetamide

N-(2-benzylcyclohexyl)-2,2-difluoroacetamide (PubChem CID 167792579) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is N-(2-benzylcyclohexyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(2-benzylcyclohexyl)-2,2-difluoroacetamide
PubChem CID167792579
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC NameN-(2-benzylcyclohexyl)-2,2-difluoroacetamide
SMILESO=C(NC1CCCCC1Cc1ccccc1)C(F)F
InChIInChI=1S/C15H19F2NO/c16-14(17)15(19)18-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,12-14H,4-5,8-10H2,(H,18,19)
InChIKeyLFVALVJILLQGDP-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide
CID 96532946
2-amino-N-(2-benzylcyclohexyl)pentanamide;hydrochloride
CID 119317652
3-amino-N-(2-benzylcyclohexyl)butanamide
CID 119773392
N'-[(1S,2S)-2-benzylcyclohexyl]acetohydrazide
CID 125464130
N-(2-benzylcyclopentyl)pyrrolidine-3-carboxamide
CID 119794025
4-(aminomethyl)-N-(2-benzylcyclohexyl)benzamide;hydrochloride
CID 119317648
4-amino-N-(2-benzylcyclopentyl)pentanamide;hydrochloride
CID 120563001
N'-[(1R,2S)-2-benzylcyclopentyl]acetohydrazide
CID 125464208
N-[(1S,2R)-2-benzylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 95298751
3-amino-N-(2-benzylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119773377
3-[(2-benzylcyclopentyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122002977
(E)-N-(2-benzylcyclohexyl)-3-(4-chlorophenyl)prop-2-enamide
CID 14965454

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylcyclohexyl)-2,2-difluoroacetamide?
The IUPAC name of N-(2-benzylcyclohexyl)-2,2-difluoroacetamide (CID 167792579) is N-(2-benzylcyclohexyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(2-benzylcyclohexyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(2-benzylcyclohexyl)-2,2-difluoroacetamide is O=C(NC1CCCCC1Cc1ccccc1)C(F)F.
What is the InChIKey of N-(2-benzylcyclohexyl)-2,2-difluoroacetamide?
The InChIKey is LFVALVJILLQGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c16-14(17)15(19)18-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,12-14H,4-5,8-10H2,(H,18,19).
What are the key properties of N-(2-benzylcyclohexyl)-2,2-difluoroacetamide?
N-(2-benzylcyclohexyl)-2,2-difluoroacetamide has a molecular weight of 267.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylcyclohexyl)-2,2-difluoroacetamide is sourced from PubChem (CID 167792579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).