N-(1-cyanocyclohexyl)-2-(3,5-dichloroanilino)acetamide

C15H17Cl2N3O — CID 51183090

IUPACN-(1-cyanocyclohexyl)-2-(3,5-dichloroanilino)acetamide
SMILESN#CC1(NC(=O)CNc2cc(Cl)cc(Cl)c2)CCCCC1
InChIInChI=1S/C15H17Cl2N3O/c16-11-6-12(17)8-13(7-11)19-9-14(21)20-15(10-18)4-2-1-3-5-15/h6-8,19H,1-5,9H2,(H,20,21)
InChIKeyXNEQLWPEASQOIO-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.75
Rot. Bonds4

About N-(1-cyanocyclohexyl)-2-(3,5-dichloroanilino)acetamide

N-(1-cyanocyclohexyl)-2-(3,5-dichloroanilino)acetamide (PubChem CID 51183090) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-(3,5-dichloroanilino)acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-(3,5-dichloroanilino)acetamide
PubChem CID51183090
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC NameN-(1-cyanocyclohexyl)-2-(3,5-dichloroanilino)acetamide
SMILESN#CC1(NC(=O)CNc2cc(Cl)cc(Cl)c2)CCCCC1
InChIInChI=1S/C15H17Cl2N3O/c16-11-6-12(17)8-13(7-11)19-9-14(21)20-15(10-18)4-2-1-3-5-15/h6-8,19H,1-5,9H2,(H,20,21)
InChIKeyXNEQLWPEASQOIO-UHFFFAOYSA-N
XLogP3.75
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyanocyclopentyl)-3-(3,5-dichlorophenyl)urea
CID 107653426
methyl 2-chloro-5-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]amino]benzoate
CID 37230490
2-(4-chloro-3-nitroanilino)-N-(1-cyanocyclohexyl)acetamide
CID 37478786
2-(4-cyanoanilino)-N-(1-cyanocyclopentyl)acetamide
CID 26507758
N-(1-cyanocyclohexyl)-2-[3-(hydroxymethyl)anilino]acetamide
CID 110877972
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(1-cyanocyclopentyl)acetamide
CID 37479013
N-(1-cyanocyclohexyl)-2-[4-(difluoromethoxy)anilino]acetamide
CID 36586094
2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide
CID 60659352
4-chloro-2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 55898568
N-(1-cyanocycloheptyl)-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetamide
CID 33005767
2-(3-chloro-2-fluoroanilino)-N-(1-cyanocyclohexyl)acetamide
CID 33164628
N-(1-cyanocycloheptyl)-2-(2,6-dimethylanilino)acetamide
CID 32908656

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-(3,5-dichloroanilino)acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-(3,5-dichloroanilino)acetamide (CID 51183090) is N-(1-cyanocyclohexyl)-2-(3,5-dichloroanilino)acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-(3,5-dichloroanilino)acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-(3,5-dichloroanilino)acetamide is N#CC1(NC(=O)CNc2cc(Cl)cc(Cl)c2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-(3,5-dichloroanilino)acetamide?
The InChIKey is XNEQLWPEASQOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c16-11-6-12(17)8-13(7-11)19-9-14(21)20-15(10-18)4-2-1-3-5-15/h6-8,19H,1-5,9H2,(H,20,21).
What are the key properties of N-(1-cyanocyclohexyl)-2-(3,5-dichloroanilino)acetamide?
N-(1-cyanocyclohexyl)-2-(3,5-dichloroanilino)acetamide has a molecular weight of 326.23 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-(3,5-dichloroanilino)acetamide is sourced from PubChem (CID 51183090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).