N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]benzamide

C16H17N3O — CID 89329339

IUPACN-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccccc1)c1cc(C)ccc1N
InChIInChI=1S/C16H17N3O/c1-11-8-9-15(17)14(10-11)12(2)18-19-16(20)13-6-4-3-5-7-13/h3-10H,17H2,1-2H3,(H,19,20)/b18-12+
InChIKeyZMQHXMLNOYGXIS-LDADJPATSA-N
MW267.33 g/mol
LogP2.73
Rot. Bonds3

About N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]benzamide

N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]benzamide (PubChem CID 89329339) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]benzamide
PubChem CID89329339
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccccc1)c1cc(C)ccc1N
InChIInChI=1S/C16H17N3O/c1-11-8-9-15(17)14(10-11)12(2)18-19-16(20)13-6-4-3-5-7-13/h3-10H,17H2,1-2H3,(H,19,20)/b18-12+
InChIKeyZMQHXMLNOYGXIS-LDADJPATSA-N
XLogP2.73
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.73
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

4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
CID 9070567
N-[1-(2-hydroxyphenyl)ethylideneamino]-3-methylbenzamide
CID 715799
4-chloro-N-[1-(2,5-dimethylphenyl)ethylideneamino]benzamide
CID 689927
N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137125205
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]pyridine-4-carboxamide
CID 135614486
3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6271545
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
CID 6041987
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 135578375
N-[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137153590
4-(dimethylamino)-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
CID 5411726
1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide
CID 135656933
2-amino-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide
CID 21370947

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]benzamide?
The IUPAC name of N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]benzamide (CID 89329339) is N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]benzamide?
The canonical SMILES for N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]benzamide is C/C(=N\NC(=O)c1ccccc1)c1cc(C)ccc1N.
What is the InChIKey of N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]benzamide?
The InChIKey is ZMQHXMLNOYGXIS-LDADJPATSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-8-9-15(17)14(10-11)12(2)18-19-16(20)13-6-4-3-5-7-13/h3-10H,17H2,1-2H3,(H,19,20)/b18-12+.
What are the key properties of N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]benzamide?
N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]benzamide has a molecular weight of 267.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 89329339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).