2-cyano-N-cyclohexyl-3-[2-(2,4-dichlorophenyl)ethylimino]butanamide

C19H23Cl2N3O — CID 7368156

IUPAC2-cyano-N-cyclohexyl-3-[2-(2,4-dichlorophenyl)ethylimino]butanamide
SMILESC/C(=N\CCc1ccc(Cl)cc1Cl)C(C#N)C(=O)NC1CCCCC1
InChIInChI=1S/C19H23Cl2N3O/c1-13(23-10-9-14-7-8-15(20)11-18(14)21)17(12-22)19(25)24-16-5-3-2-4-6-16/h7-8,11,16-17H,2-6,9-10H2,1H3,(H,24,25)/b23-13+
InChIKeyADRMPVCIFIZNLI-YDZHTSKRSA-N
MW380.32 g/mol
LogP4.59
Rot. Bonds6

About 2-cyano-N-cyclohexyl-3-[2-(2,4-dichlorophenyl)ethylimino]butanamide

2-cyano-N-cyclohexyl-3-[2-(2,4-dichlorophenyl)ethylimino]butanamide (PubChem CID 7368156) has the molecular formula C19H23Cl2N3O and a molecular weight of 380.32 g/mol. Its IUPAC name is 2-cyano-N-cyclohexyl-3-[2-(2,4-dichlorophenyl)ethylimino]butanamide.

Molecular Properties

Compound Name2-cyano-N-cyclohexyl-3-[2-(2,4-dichlorophenyl)ethylimino]butanamide
PubChem CID7368156
Molecular FormulaC19H23Cl2N3O
Molecular Weight380.32 g/mol
Exact Mass379.12
IUPAC Name2-cyano-N-cyclohexyl-3-[2-(2,4-dichlorophenyl)ethylimino]butanamide
SMILESC/C(=N\CCc1ccc(Cl)cc1Cl)C(C#N)C(=O)NC1CCCCC1
InChIInChI=1S/C19H23Cl2N3O/c1-13(23-10-9-14-7-8-15(20)11-18(14)21)17(12-22)19(25)24-16-5-3-2-4-6-16/h7-8,11,16-17H,2-6,9-10H2,1H3,(H,24,25)/b23-13+
InChIKeyADRMPVCIFIZNLI-YDZHTSKRSA-N
XLogP4.59
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-cyclopentyl-2-[2-(2,4-dichlorophenyl)ethyl]guanidine
CID 116512213
3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-cycloheptylpropanamide
CID 113123314
N-cycloheptyl-2-[(S)-(2,4-dichlorophenyl)methylsulfinyl]acetamide
CID 39991988
(2R)-2-cyano-N-cyclohexyl-3-(3,5-dichlorophenyl)-3-oxopropanamide
CID 98431549
N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-propanoylamino]propanamide
CID 132762203
(2R)-N-cyclohexyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100516508
1-[4-[2-(2,4-dichlorophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43222996
1-cyclohexyl-3-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]urea
CID 100744347
2-cyano-N-cyclopropyl-4-(2,5-dichlorophenyl)sulfanyl-3-oxobutanamide
CID 91641622
2-[[2-(3-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132615143
N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide
CID 132614301
2-[3-(2-chlorophenyl)propanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132618808

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-cyclohexyl-3-[2-(2,4-dichlorophenyl)ethylimino]butanamide?
The IUPAC name of 2-cyano-N-cyclohexyl-3-[2-(2,4-dichlorophenyl)ethylimino]butanamide (CID 7368156) is 2-cyano-N-cyclohexyl-3-[2-(2,4-dichlorophenyl)ethylimino]butanamide.
What is the SMILES notation for 2-cyano-N-cyclohexyl-3-[2-(2,4-dichlorophenyl)ethylimino]butanamide?
The canonical SMILES for 2-cyano-N-cyclohexyl-3-[2-(2,4-dichlorophenyl)ethylimino]butanamide is C/C(=N\CCc1ccc(Cl)cc1Cl)C(C#N)C(=O)NC1CCCCC1.
What is the InChIKey of 2-cyano-N-cyclohexyl-3-[2-(2,4-dichlorophenyl)ethylimino]butanamide?
The InChIKey is ADRMPVCIFIZNLI-YDZHTSKRSA-N. The full InChI is InChI=1S/C19H23Cl2N3O/c1-13(23-10-9-14-7-8-15(20)11-18(14)21)17(12-22)19(25)24-16-5-3-2-4-6-16/h7-8,11,16-17H,2-6,9-10H2,1H3,(H,24,25)/b23-13+.
What are the key properties of 2-cyano-N-cyclohexyl-3-[2-(2,4-dichlorophenyl)ethylimino]butanamide?
2-cyano-N-cyclohexyl-3-[2-(2,4-dichlorophenyl)ethylimino]butanamide has a molecular weight of 380.32 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-cyclohexyl-3-[2-(2,4-dichlorophenyl)ethylimino]butanamide is sourced from PubChem (CID 7368156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).