N-[(E)-1-(3-aminophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide

C16H16N4O3 — CID 19685688

IUPACN-[(E)-1-(3-aminophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
SMILESC/C(=N\NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1cccc(N)c1
InChIInChI=1S/C16H16N4O3/c1-10-8-13(6-7-15(10)20(22)23)16(21)19-18-11(2)12-4-3-5-14(17)9-12/h3-9H,17H2,1-2H3,(H,19,21)/b18-11+
InChIKeyCHGGAZQCLFLYQF-WOJGMQOQSA-N
MW312.33 g/mol
LogP2.64
Rot. Bonds4

About N-[(E)-1-(3-aminophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide

N-[(E)-1-(3-aminophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide (PubChem CID 19685688) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[(E)-1-(3-aminophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(E)-1-(3-aminophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
PubChem CID19685688
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-[(E)-1-(3-aminophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
SMILESC/C(=N\NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1cccc(N)c1
InChIInChI=1S/C16H16N4O3/c1-10-8-13(6-7-15(10)20(22)23)16(21)19-18-11(2)12-4-3-5-14(17)9-12/h3-9H,17H2,1-2H3,(H,19,21)/b18-11+
InChIKeyCHGGAZQCLFLYQF-WOJGMQOQSA-N
XLogP2.64
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(1-naphthalen-2-ylethylideneamino)-4-nitrobenzamide
CID 5109647
N-[1-(3-aminophenyl)ethylideneamino]-2-nitrobenzamide
CID 769756
N-[1-(4-bromophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 4538116
N-[1-(2,4-dimethylphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 3285738
N-[1-(4-methoxyphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 4667639
N-[1-(3-hydroxyphenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 4277807
N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 135683419
N-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]-3-methyl-4-nitrobenzamide
CID 6307189
N-[1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]-3-methyl-4-nitrobenzamide
CID 5227167
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide
CID 5416580
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide
CID 5376677
3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3-aminophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide?
The IUPAC name of N-[(E)-1-(3-aminophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide (CID 19685688) is N-[(E)-1-(3-aminophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide.
What is the SMILES notation for N-[(E)-1-(3-aminophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide?
The canonical SMILES for N-[(E)-1-(3-aminophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide is C/C(=N\NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1cccc(N)c1.
What is the InChIKey of N-[(E)-1-(3-aminophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide?
The InChIKey is CHGGAZQCLFLYQF-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-10-8-13(6-7-15(10)20(22)23)16(21)19-18-11(2)12-4-3-5-14(17)9-12/h3-9H,17H2,1-2H3,(H,19,21)/b18-11+.
What are the key properties of N-[(E)-1-(3-aminophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide?
N-[(E)-1-(3-aminophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide has a molecular weight of 312.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3-aminophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide is sourced from PubChem (CID 19685688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).