N-(2,4-dichlorophenyl)-N'-[(E)-(3-methylcyclohexylidene)amino]butanediamide

C17H21Cl2N3O2 — CID 6530772

IUPACN-(2,4-dichlorophenyl)-N'-[(E)-(3-methylcyclohexylidene)amino]butanediamide
SMILESCC1CCC/C(=N\NC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C17H21Cl2N3O2/c1-11-3-2-4-13(9-11)21-22-17(24)8-7-16(23)20-15-6-5-12(18)10-14(15)19/h5-6,10-11H,2-4,7-9H2,1H3,(H,20,23)(H,22,24)/b21-13+
InChIKeyIUIBHCXGNOVSNR-FYJGNVAPSA-N
MW370.28 g/mol
LogP4.39
Rot. Bonds5

About N-(2,4-dichlorophenyl)-N'-[(E)-(3-methylcyclohexylidene)amino]butanediamide

N-(2,4-dichlorophenyl)-N'-[(E)-(3-methylcyclohexylidene)amino]butanediamide (PubChem CID 6530772) has the molecular formula C17H21Cl2N3O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-N'-[(E)-(3-methylcyclohexylidene)amino]butanediamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-N'-[(E)-(3-methylcyclohexylidene)amino]butanediamide
PubChem CID6530772
Molecular FormulaC17H21Cl2N3O2
Molecular Weight370.28 g/mol
Exact Mass369.10
IUPAC NameN-(2,4-dichlorophenyl)-N'-[(E)-(3-methylcyclohexylidene)amino]butanediamide
SMILESCC1CCC/C(=N\NC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C17H21Cl2N3O2/c1-11-3-2-4-13(9-11)21-22-17(24)8-7-16(23)20-15-6-5-12(18)10-14(15)19/h5-6,10-11H,2-4,7-9H2,1H3,(H,20,23)(H,22,24)/b21-13+
InChIKeyIUIBHCXGNOVSNR-FYJGNVAPSA-N
XLogP4.39
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-methylphenyl)-N'-[(Z)-[(3S)-3-methylcyclohexylidene]amino]butanediamide
CID 5427907
2-(2-chloroanilino)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide
CID 5427861
2-(3-chloro-2-methylanilino)-N-[(3-methylcyclohexylidene)amino]acetamide
CID 4627316
2-(3-chloro-2-methylanilino)-N-[[(3R)-3-methylcyclohexylidene]amino]acetamide
CID 968286
2-(4-chloro-3-methylphenoxy)-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]acetamide
CID 5419189
3-(cyclopropylamino)-N-(2,4-dichlorophenyl)propanamide
CID 60722944
N'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide
CID 4659589
N,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide
CID 40543084
N-(2,4-dichlorophenyl)propanamide
CID 923083
N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 4591854
methyl 4-(2,4-dichloroanilino)-4-oxobutanoate
CID 823383
N-(2,4-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2655213

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-N'-[(E)-(3-methylcyclohexylidene)amino]butanediamide?
The IUPAC name of N-(2,4-dichlorophenyl)-N'-[(E)-(3-methylcyclohexylidene)amino]butanediamide (CID 6530772) is N-(2,4-dichlorophenyl)-N'-[(E)-(3-methylcyclohexylidene)amino]butanediamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-N'-[(E)-(3-methylcyclohexylidene)amino]butanediamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-N'-[(E)-(3-methylcyclohexylidene)amino]butanediamide is CC1CCC/C(=N\NC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of N-(2,4-dichlorophenyl)-N'-[(E)-(3-methylcyclohexylidene)amino]butanediamide?
The InChIKey is IUIBHCXGNOVSNR-FYJGNVAPSA-N. The full InChI is InChI=1S/C17H21Cl2N3O2/c1-11-3-2-4-13(9-11)21-22-17(24)8-7-16(23)20-15-6-5-12(18)10-14(15)19/h5-6,10-11H,2-4,7-9H2,1H3,(H,20,23)(H,22,24)/b21-13+.
What are the key properties of N-(2,4-dichlorophenyl)-N'-[(E)-(3-methylcyclohexylidene)amino]butanediamide?
N-(2,4-dichlorophenyl)-N'-[(E)-(3-methylcyclohexylidene)amino]butanediamide has a molecular weight of 370.28 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-N'-[(E)-(3-methylcyclohexylidene)amino]butanediamide is sourced from PubChem (CID 6530772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).