N-benzyl-N'-[1-(4-chlorophenyl)ethylideneamino]butanediamide

C19H20ClN3O2 — CID 3144325

IUPACN-benzyl-N'-[1-(4-chlorophenyl)ethylideneamino]butanediamide
SMILESCC(=NNC(=O)CCC(=O)NCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O2/c1-14(16-7-9-17(20)10-8-16)22-23-19(25)12-11-18(24)21-13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,21,24)(H,23,25)
InChIKeyIHNJDPYKRHDEPJ-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.28
Rot. Bonds7

About N-benzyl-N'-[1-(4-chlorophenyl)ethylideneamino]butanediamide

N-benzyl-N'-[1-(4-chlorophenyl)ethylideneamino]butanediamide (PubChem CID 3144325) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-benzyl-N'-[1-(4-chlorophenyl)ethylideneamino]butanediamide.

Molecular Properties

Compound NameN-benzyl-N'-[1-(4-chlorophenyl)ethylideneamino]butanediamide
PubChem CID3144325
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC NameN-benzyl-N'-[1-(4-chlorophenyl)ethylideneamino]butanediamide
SMILESCC(=NNC(=O)CCC(=O)NCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O2/c1-14(16-7-9-17(20)10-8-16)22-23-19(25)12-11-18(24)21-13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,21,24)(H,23,25)
InChIKeyIHNJDPYKRHDEPJ-UHFFFAOYSA-N
XLogP3.28
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.28
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,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3140698
N'-[1-(3-aminophenyl)ethylideneamino]-N-benzylbutanediamide
CID 3960617
N-benzyl-N'-[1-(furan-2-yl)ethylideneamino]butanediamide
CID 3424450
(3Z)-N-[(4-chlorophenyl)methyl]-3-[(2-phenylacetyl)hydrazinylidene]butanamide
CID 6369433
N-benzyl-N'-[1-(4-hydroxyphenyl)propylideneamino]butanediamide
CID 5141586
benzyl N-[(E)-1-(4-chlorophenyl)ethylideneamino]carbamate
CID 146162370
N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide
CID 3558408
N'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide
CID 4659589
N-(4-chloro-2-methylphenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide
CID 6110651
N,N'-bis(1-phenylethylideneamino)octanediamide
CID 4517497
N-naphthalen-1-yl-N'-(1-phenylethylideneamino)butanediamide
CID 4609647
4-[(4-chlorophenyl)methylamino]-4-oxobutanoic acid
CID 879591

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[1-(4-chlorophenyl)ethylideneamino]butanediamide?
The IUPAC name of N-benzyl-N'-[1-(4-chlorophenyl)ethylideneamino]butanediamide (CID 3144325) is N-benzyl-N'-[1-(4-chlorophenyl)ethylideneamino]butanediamide.
What is the SMILES notation for N-benzyl-N'-[1-(4-chlorophenyl)ethylideneamino]butanediamide?
The canonical SMILES for N-benzyl-N'-[1-(4-chlorophenyl)ethylideneamino]butanediamide is CC(=NNC(=O)CCC(=O)NCc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-N'-[1-(4-chlorophenyl)ethylideneamino]butanediamide?
The InChIKey is IHNJDPYKRHDEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-14(16-7-9-17(20)10-8-16)22-23-19(25)12-11-18(24)21-13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,21,24)(H,23,25).
What are the key properties of N-benzyl-N'-[1-(4-chlorophenyl)ethylideneamino]butanediamide?
N-benzyl-N'-[1-(4-chlorophenyl)ethylideneamino]butanediamide has a molecular weight of 357.84 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[1-(4-chlorophenyl)ethylideneamino]butanediamide is sourced from PubChem (CID 3144325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).