N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide

C15H14ClN3O — CID 5416580

IUPACN-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide
SMILESC/C(=N/NC(=O)c1ccc(Cl)cc1)c1cccc(N)c1
InChIInChI=1S/C15H14ClN3O/c1-10(12-3-2-4-14(17)9-12)18-19-15(20)11-5-7-13(16)8-6-11/h2-9H,17H2,1H3,(H,19,20)/b18-10-
InChIKeyABAHLSAHXPBADM-ZDLGFXPLSA-N
MW287.75 g/mol
LogP3.08
Rot. Bonds3

About N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide

N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide (PubChem CID 5416580) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide
PubChem CID5416580
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC NameN-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide
SMILESC/C(=N/NC(=O)c1ccc(Cl)cc1)c1cccc(N)c1
InChIInChI=1S/C15H14ClN3O/c1-10(12-3-2-4-14(17)9-12)18-19-15(20)11-5-7-13(16)8-6-11/h2-9H,17H2,1H3,(H,19,20)/b18-10-
InChIKeyABAHLSAHXPBADM-ZDLGFXPLSA-N
XLogP3.08
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1-(3-aminophenyl)ethylideneamino]-4-(dimethylamino)benzamide
CID 5336340
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide
CID 5376677
N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide
CID 19685958
3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 6010239
4-amino-N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3,5,6-trichloropyridine-2-carboxamide
CID 9214641
3,4-dichloro-N-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 3531180
N-[1-(3-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927568
N-[(E)-1-(3-aminophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 19685688
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
N-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 5480352
N-[(E)-1-(3-aminophenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 17337828

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide?
The IUPAC name of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide (CID 5416580) is N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide.
What is the SMILES notation for N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide?
The canonical SMILES for N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide is C/C(=N/NC(=O)c1ccc(Cl)cc1)c1cccc(N)c1.
What is the InChIKey of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide?
The InChIKey is ABAHLSAHXPBADM-ZDLGFXPLSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-10(12-3-2-4-14(17)9-12)18-19-15(20)11-5-7-13(16)8-6-11/h2-9H,17H2,1H3,(H,19,20)/b18-10-.
What are the key properties of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide?
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide has a molecular weight of 287.75 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide is sourced from PubChem (CID 5416580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).