2-(4,4-difluorocyclohexyl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide

C14H16F4N2O — CID 177351676

IUPAC2-(4,4-difluorocyclohexyl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide
SMILESO=C(CC1CCC(F)(F)CC1)NCc1ncc(F)cc1F
InChIInChI=1S/C14H16F4N2O/c15-10-6-11(16)12(19-7-10)8-20-13(21)5-9-1-3-14(17,18)4-2-9/h6-7,9H,1-5,8H2,(H,20,21)
InChIKeyJTQOARKQKRYOAC-UHFFFAOYSA-N
MW304.29 g/mol
LogP3.19
Rot. Bonds4

About 2-(4,4-difluorocyclohexyl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide

2-(4,4-difluorocyclohexyl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide (PubChem CID 177351676) has the molecular formula C14H16F4N2O and a molecular weight of 304.29 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide
PubChem CID177351676
Molecular FormulaC14H16F4N2O
Molecular Weight304.29 g/mol
Exact Mass304.12
IUPAC Name2-(4,4-difluorocyclohexyl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide
SMILESO=C(CC1CCC(F)(F)CC1)NCc1ncc(F)cc1F
InChIInChI=1S/C14H16F4N2O/c15-10-6-11(16)12(19-7-10)8-20-13(21)5-9-1-3-14(17,18)4-2-9/h6-7,9H,1-5,8H2,(H,20,21)
InChIKeyJTQOARKQKRYOAC-UHFFFAOYSA-N
XLogP3.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119708033
[(3,5-difluoro-2-pyridinyl)methylamino] 2-oxoacetate
CID 175425403
N-(4-chlorophenyl)-2-(4,4-difluorocyclohexyl)acetamide
CID 121319752
2-(5,6-difluoro-2-oxo-1H-quinolin-3-yl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide
CID 177350565
N-[2-(3,5-difluoro-2-pyridinyl)ethyl]acetamide
CID 69198720
3,5-difluoro-2-(piperidin-4-ylmethyl)pyridine
CID 170068814
(2R)-2-amino-3-(3,5-difluoro-2-pyridinyl)propanoic acid
CID 131055961
N-[(3,5-difluoro-2-pyridinyl)methyl]-5-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-oxazole-4-carboxamide
CID 162435038
N-[(3,5-difluoro-2-pyridinyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-4-carboxamide
CID 156735206
2-cyclopentyl-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16866847
N-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide
CID 55188581
2-piperidin-4-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 90261944

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide (CID 177351676) is 2-(4,4-difluorocyclohexyl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide is O=C(CC1CCC(F)(F)CC1)NCc1ncc(F)cc1F.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide?
The InChIKey is JTQOARKQKRYOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O/c15-10-6-11(16)12(19-7-10)8-20-13(21)5-9-1-3-14(17,18)4-2-9/h6-7,9H,1-5,8H2,(H,20,21).
What are the key properties of 2-(4,4-difluorocyclohexyl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide?
2-(4,4-difluorocyclohexyl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide has a molecular weight of 304.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-N-[(3,5-difluoro-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 177351676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).