2-(N-acetyl-2,6-difluoroanilino)-N-cycloheptylacetamide

C17H22F2N2O2 — CID 113181443

IUPAC2-(N-acetyl-2,6-difluoroanilino)-N-cycloheptylacetamide
SMILESCC(=O)N(CC(=O)NC1CCCCCC1)c1c(F)cccc1F
InChIInChI=1S/C17H22F2N2O2/c1-12(22)21(17-14(18)9-6-10-15(17)19)11-16(23)20-13-7-4-2-3-5-8-13/h6,9-10,13H,2-5,7-8,11H2,1H3,(H,20,23)
InChIKeyMCIUEJZZQBHNSV-UHFFFAOYSA-N
MW324.37 g/mol
LogP3.16
Rot. Bonds4

About 2-(N-acetyl-2,6-difluoroanilino)-N-cycloheptylacetamide

2-(N-acetyl-2,6-difluoroanilino)-N-cycloheptylacetamide (PubChem CID 113181443) has the molecular formula C17H22F2N2O2 and a molecular weight of 324.37 g/mol. Its IUPAC name is 2-(N-acetyl-2,6-difluoroanilino)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,6-difluoroanilino)-N-cycloheptylacetamide
PubChem CID113181443
Molecular FormulaC17H22F2N2O2
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Name2-(N-acetyl-2,6-difluoroanilino)-N-cycloheptylacetamide
SMILESCC(=O)N(CC(=O)NC1CCCCCC1)c1c(F)cccc1F
InChIInChI=1S/C17H22F2N2O2/c1-12(22)21(17-14(18)9-6-10-15(17)19)11-16(23)20-13-7-4-2-3-5-8-13/h6,9-10,13H,2-5,7-8,11H2,1H3,(H,20,23)
InChIKeyMCIUEJZZQBHNSV-UHFFFAOYSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2,6-dimethylanilino)-N-cyclohexylacetamide
CID 113168633
2-(N-acetylanilino)-N-cyclopentylacetamide
CID 113167073
2-(N-acetyl-2,3-dimethylanilino)-N-cycloheptylacetamide
CID 113168893
2-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylacetamide
CID 113179941
N-cyclohexyl-2-(N,3-diacetylanilino)acetamide
CID 113175380
2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide
CID 113173369
2-(N-acetyl-4-ethylanilino)-N-cycloheptylacetamide
CID 113169281
2-(N-acetyl-2-tert-butylanilino)-N-cycloheptylacetamide
CID 113170454
methyl 3-[acetyl-[2-(cycloheptylamino)-2-oxoethyl]amino]benzoate
CID 113176252
2-(N-acetyl-3,4-dimethylanilino)-N-cyclohexylacetamide
CID 113168245
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cycloheptylacetamide
CID 113179362
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylacetamide
CID 113179338

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,6-difluoroanilino)-N-cycloheptylacetamide?
The IUPAC name of 2-(N-acetyl-2,6-difluoroanilino)-N-cycloheptylacetamide (CID 113181443) is 2-(N-acetyl-2,6-difluoroanilino)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(N-acetyl-2,6-difluoroanilino)-N-cycloheptylacetamide?
The canonical SMILES for 2-(N-acetyl-2,6-difluoroanilino)-N-cycloheptylacetamide is CC(=O)N(CC(=O)NC1CCCCCC1)c1c(F)cccc1F.
What is the InChIKey of 2-(N-acetyl-2,6-difluoroanilino)-N-cycloheptylacetamide?
The InChIKey is MCIUEJZZQBHNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O2/c1-12(22)21(17-14(18)9-6-10-15(17)19)11-16(23)20-13-7-4-2-3-5-8-13/h6,9-10,13H,2-5,7-8,11H2,1H3,(H,20,23).
What are the key properties of 2-(N-acetyl-2,6-difluoroanilino)-N-cycloheptylacetamide?
2-(N-acetyl-2,6-difluoroanilino)-N-cycloheptylacetamide has a molecular weight of 324.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,6-difluoroanilino)-N-cycloheptylacetamide is sourced from PubChem (CID 113181443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).