N'-[(3-chlorophenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide

C19H20ClN3O2 — CID 5230931

IUPACN'-[(3-chlorophenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
SMILESCc1ccc(NC(=O)CCC(=O)NN=Cc2cccc(Cl)c2)cc1C
InChIInChI=1S/C19H20ClN3O2/c1-13-6-7-17(10-14(13)2)22-18(24)8-9-19(25)23-21-12-15-4-3-5-16(20)11-15/h3-7,10-12H,8-9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyLTNPJFTZSLZWCS-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.83
Rot. Bonds6

About N'-[(3-chlorophenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide

N'-[(3-chlorophenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide (PubChem CID 5230931) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is N'-[(3-chlorophenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide.

Molecular Properties

Compound NameN'-[(3-chlorophenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
PubChem CID5230931
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC NameN'-[(3-chlorophenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
SMILESCc1ccc(NC(=O)CCC(=O)NN=Cc2cccc(Cl)c2)cc1C
InChIInChI=1S/C19H20ClN3O2/c1-13-6-7-17(10-14(13)2)22-18(24)8-9-19(25)23-21-12-15-4-3-5-16(20)11-15/h3-7,10-12H,8-9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyLTNPJFTZSLZWCS-UHFFFAOYSA-N
XLogP3.83
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.83
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-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]butanediamide
CID 6161963
N-(3,4-dimethylphenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide
CID 4039695
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
CID 135715645
N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
CID 3355241
N-(3,4-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]butanediamide
CID 4082454
N-(3,4-dimethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]butanediamide
CID 3355238
N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
CID 3386676
N-(3-chlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 3280899
N-(3-chlorophenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 3336715
N-(4-chloro-2-methylphenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide
CID 3894268
N-[(3-chlorophenyl)methylideneamino]hexadecanamide
CID 75087758
N-[(E)-(3-chlorophenyl)methylideneamino]octadecanamide
CID 45054960

Frequently Asked Questions

What is the IUPAC name of N'-[(3-chlorophenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide?
The IUPAC name of N'-[(3-chlorophenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide (CID 5230931) is N'-[(3-chlorophenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide.
What is the SMILES notation for N'-[(3-chlorophenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide?
The canonical SMILES for N'-[(3-chlorophenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide is Cc1ccc(NC(=O)CCC(=O)NN=Cc2cccc(Cl)c2)cc1C.
What is the InChIKey of N'-[(3-chlorophenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide?
The InChIKey is LTNPJFTZSLZWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-13-6-7-17(10-14(13)2)22-18(24)8-9-19(25)23-21-12-15-4-3-5-16(20)11-15/h3-7,10-12H,8-9H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-[(3-chlorophenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide?
N'-[(3-chlorophenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide has a molecular weight of 357.84 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-chlorophenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide is sourced from PubChem (CID 5230931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).