N-(4-chloro-2-methylphenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide

C19H20ClN3O2 — CID 6110651

IUPACN-(4-chloro-2-methylphenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide
SMILESC/C(=N/NC(=O)CCC(=O)Nc1ccc(Cl)cc1C)c1ccccc1
InChIInChI=1S/C19H20ClN3O2/c1-13-12-16(20)8-9-17(13)21-18(24)10-11-19(25)23-22-14(2)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,21,24)(H,23,25)/b22-14-
InChIKeyWOQMZBBVMPRRDI-HMAPJEAMSA-N
MW357.84 g/mol
LogP3.91
Rot. Bonds6

About N-(4-chloro-2-methylphenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide

N-(4-chloro-2-methylphenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide (PubChem CID 6110651) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide
PubChem CID6110651
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC NameN-(4-chloro-2-methylphenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide
SMILESC/C(=N/NC(=O)CCC(=O)Nc1ccc(Cl)cc1C)c1ccccc1
InChIInChI=1S/C19H20ClN3O2/c1-13-12-16(20)8-9-17(13)21-18(24)10-11-19(25)23-22-14(2)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,21,24)(H,23,25)/b22-14-
InChIKeyWOQMZBBVMPRRDI-HMAPJEAMSA-N
XLogP3.91
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 ≤ 53.91
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'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide
CID 4659589
N'-[1-(4-aminophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide
CID 3368990
4-(4-chloro-2-methylanilino)-4-oxobutanoic acid
CID 731480
N-naphthalen-1-yl-N'-(1-phenylethylideneamino)butanediamide
CID 4609647
N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3140698
N-(2,4-dimethylphenyl)-N'-(1-phenylpropylideneamino)butanediamide
CID 3462359
N'-[1-(4-fluorophenyl)ethylideneamino]-N-(4-iodo-2-methylphenyl)butanediamide
CID 2847008
N-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26664486
N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide
CID 3352206
N'-[1-(4-aminophenyl)ethylideneamino]-N-(2-chlorophenyl)butanediamide
CID 3419515
6-benzoyl-N-(4-chloro-2-methylphenyl)-5-[(2-cyanoacetyl)hydrazinylidene]octanamide
CID 4115893
N-(4-chloro-2-methylphenyl)-N'-(1H-indol-3-ylmethylideneamino)butanediamide
CID 3915697

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide (CID 6110651) is N-(4-chloro-2-methylphenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide is C/C(=N/NC(=O)CCC(=O)Nc1ccc(Cl)cc1C)c1ccccc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide?
The InChIKey is WOQMZBBVMPRRDI-HMAPJEAMSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-13-12-16(20)8-9-17(13)21-18(24)10-11-19(25)23-22-14(2)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,21,24)(H,23,25)/b22-14-.
What are the key properties of N-(4-chloro-2-methylphenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide?
N-(4-chloro-2-methylphenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide has a molecular weight of 357.84 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide is sourced from PubChem (CID 6110651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).