4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide

C17H19N3O — CID 9070567

IUPAC4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(N)cc1)c1ccc(C)cc1C
InChIInChI=1S/C17H19N3O/c1-11-4-9-16(12(2)10-11)13(3)19-20-17(21)14-5-7-15(18)8-6-14/h4-10H,18H2,1-3H3,(H,20,21)/b19-13-
InChIKeyMJABGDWGBYWFCC-UYRXBGFRSA-N
MW281.36 g/mol
LogP3.04
Rot. Bonds3

About 4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide

4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide (PubChem CID 9070567) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
PubChem CID9070567
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(N)cc1)c1ccc(C)cc1C
InChIInChI=1S/C17H19N3O/c1-11-4-9-16(12(2)10-11)13(3)19-20-17(21)14-5-7-15(18)8-6-14/h4-10H,18H2,1-3H3,(H,20,21)/b19-13-
InChIKeyMJABGDWGBYWFCC-UYRXBGFRSA-N
XLogP3.04
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.04
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-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
CID 6041987
4-(dimethylamino)-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
CID 5411726
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
4-amino-N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]benzamide
CID 7955460
4-chloro-N-[1-(2,5-dimethylphenyl)ethylideneamino]benzamide
CID 689927
N-[1-(2,4-dimethylphenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 3627864
N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]benzamide
CID 89329339
N-[1-(2,4-dimethylphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 3285738
4-amino-N-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]benzamide
CID 135622325
4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide
CID 3435127
4-amino-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide;oxalic acid
CID 163326318
4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide (CID 9070567) is 4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide is C/C(=N/NC(=O)c1ccc(N)cc1)c1ccc(C)cc1C.
What is the InChIKey of 4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide?
The InChIKey is MJABGDWGBYWFCC-UYRXBGFRSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-4-9-16(12(2)10-11)13(3)19-20-17(21)14-5-7-15(18)8-6-14/h4-10H,18H2,1-3H3,(H,20,21)/b19-13-.
What are the key properties of 4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide?
4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide has a molecular weight of 281.36 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 9070567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).