2-(3-chloro-2-fluoroanilino)-N-(1-cyanocyclohexyl)acetamide

C15H17ClFN3O — CID 33164628

IUPAC2-(3-chloro-2-fluoroanilino)-N-(1-cyanocyclohexyl)acetamide
SMILESN#CC1(NC(=O)CNc2cccc(Cl)c2F)CCCCC1
InChIInChI=1S/C15H17ClFN3O/c16-11-5-4-6-12(14(11)17)19-9-13(21)20-15(10-18)7-2-1-3-8-15/h4-6,19H,1-3,7-9H2,(H,20,21)
InChIKeyBXFKVLWSNLDYHI-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.23
Rot. Bonds4

About 2-(3-chloro-2-fluoroanilino)-N-(1-cyanocyclohexyl)acetamide

2-(3-chloro-2-fluoroanilino)-N-(1-cyanocyclohexyl)acetamide (PubChem CID 33164628) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is 2-(3-chloro-2-fluoroanilino)-N-(1-cyanocyclohexyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-fluoroanilino)-N-(1-cyanocyclohexyl)acetamide
PubChem CID33164628
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name2-(3-chloro-2-fluoroanilino)-N-(1-cyanocyclohexyl)acetamide
SMILESN#CC1(NC(=O)CNc2cccc(Cl)c2F)CCCCC1
InChIInChI=1S/C15H17ClFN3O/c16-11-5-4-6-12(14(11)17)19-9-13(21)20-15(10-18)7-2-1-3-8-15/h4-6,19H,1-3,7-9H2,(H,20,21)
InChIKeyBXFKVLWSNLDYHI-UHFFFAOYSA-N
XLogP3.23
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocycloheptyl)-2-(2,6-dimethylanilino)acetamide
CID 32908656
2-(2-benzylanilino)-N-(1-cyanocyclopentyl)acetamide
CID 33163851
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(1-cyanocyclopentyl)acetamide
CID 37479013
N-(1-cyanocyclohexyl)-2-(3,5-dichloroanilino)acetamide
CID 51183090
2-(2-amino-6-chlorophenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide
CID 43304615
N-(1-cyanocyclohexyl)-2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]anilino]acetamide
CID 126841359
2-(3-chloro-2-fluoroanilino)-N-(2,6-dichlorophenyl)acetamide
CID 43408733
N-(1-cyanocyclohexyl)-2-(2,4-dimethylanilino)acetamide
CID 51183021
N-(1-cyanocycloheptyl)-2-(2,4-dibromoanilino)acetamide
CID 55532584
N-(1-cyanocyclopentyl)-2-(2-cyclopentyloxyanilino)acetamide
CID 47064203
N-tert-butyl-2-(3-chloro-2-fluoroanilino)acetamide
CID 28879721
N-(1-cyanocyclohexyl)-2-[3-(hydroxymethyl)anilino]acetamide
CID 110877972

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluoroanilino)-N-(1-cyanocyclohexyl)acetamide?
The IUPAC name of 2-(3-chloro-2-fluoroanilino)-N-(1-cyanocyclohexyl)acetamide (CID 33164628) is 2-(3-chloro-2-fluoroanilino)-N-(1-cyanocyclohexyl)acetamide.
What is the SMILES notation for 2-(3-chloro-2-fluoroanilino)-N-(1-cyanocyclohexyl)acetamide?
The canonical SMILES for 2-(3-chloro-2-fluoroanilino)-N-(1-cyanocyclohexyl)acetamide is N#CC1(NC(=O)CNc2cccc(Cl)c2F)CCCCC1.
What is the InChIKey of 2-(3-chloro-2-fluoroanilino)-N-(1-cyanocyclohexyl)acetamide?
The InChIKey is BXFKVLWSNLDYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c16-11-5-4-6-12(14(11)17)19-9-13(21)20-15(10-18)7-2-1-3-8-15/h4-6,19H,1-3,7-9H2,(H,20,21).
What are the key properties of 2-(3-chloro-2-fluoroanilino)-N-(1-cyanocyclohexyl)acetamide?
2-(3-chloro-2-fluoroanilino)-N-(1-cyanocyclohexyl)acetamide has a molecular weight of 309.77 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluoroanilino)-N-(1-cyanocyclohexyl)acetamide is sourced from PubChem (CID 33164628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).