3-amino-N-[(Z)-(4-anilinophenyl)methylideneamino]-5-nitrobenzamide

C20H17N5O3 — CID 9045102

IUPAC3-amino-N-[(Z)-(4-anilinophenyl)methylideneamino]-5-nitrobenzamide
SMILESNc1cc(C(=O)N/N=C\c2ccc(Nc3ccccc3)cc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C20H17N5O3/c21-16-10-15(11-19(12-16)25(27)28)20(26)24-22-13-14-6-8-18(9-7-14)23-17-4-2-1-3-5-17/h1-13,23H,21H2,(H,24,26)/b22-13-
InChIKeyQGHSJQIRVHOJGI-XKZIYDEJSA-N
MW375.39 g/mol
LogP3.68
Rot. Bonds6

About 3-amino-N-[(Z)-(4-anilinophenyl)methylideneamino]-5-nitrobenzamide

3-amino-N-[(Z)-(4-anilinophenyl)methylideneamino]-5-nitrobenzamide (PubChem CID 9045102) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 3-amino-N-[(Z)-(4-anilinophenyl)methylideneamino]-5-nitrobenzamide.

Molecular Properties

Compound Name3-amino-N-[(Z)-(4-anilinophenyl)methylideneamino]-5-nitrobenzamide
PubChem CID9045102
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name3-amino-N-[(Z)-(4-anilinophenyl)methylideneamino]-5-nitrobenzamide
SMILESNc1cc(C(=O)N/N=C\c2ccc(Nc3ccccc3)cc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C20H17N5O3/c21-16-10-15(11-19(12-16)25(27)28)20(26)24-22-13-14-6-8-18(9-7-14)23-17-4-2-1-3-5-17/h1-13,23H,21H2,(H,24,26)/b22-13-
InChIKeyQGHSJQIRVHOJGI-XKZIYDEJSA-N
XLogP3.68
TPSA122.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-amino-N-[(E)-[3-[(Z)-[(3-amino-5-nitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-5-nitrobenzamide
CID 39844328
N-[(4-bromophenyl)methylideneamino]-3,5-dinitrobenzamide
CID 3090053
3,5-dinitro-N-(pyridin-4-ylmethylideneamino)benzamide
CID 2185358
3-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-nitrobenzamide
CID 135822183
3,5-dinitro-N-[(3-phenoxyphenyl)methylideneamino]benzamide
CID 171135969
3-nitro-5-[(E)-(phenylhydrazinylidene)methyl]aniline
CID 12808213
2-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
CID 5407743
N-[(2-methoxyphenyl)methylideneamino]-3,5-dinitrobenzamide
CID 3090224
N-[(Z)-(4-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5418856
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-3-nitrobenzamide
CID 6865590
[4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 3,5-dinitrobenzoate
CID 6241136
3-nitro-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 5406628

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(Z)-(4-anilinophenyl)methylideneamino]-5-nitrobenzamide?
The IUPAC name of 3-amino-N-[(Z)-(4-anilinophenyl)methylideneamino]-5-nitrobenzamide (CID 9045102) is 3-amino-N-[(Z)-(4-anilinophenyl)methylideneamino]-5-nitrobenzamide.
What is the SMILES notation for 3-amino-N-[(Z)-(4-anilinophenyl)methylideneamino]-5-nitrobenzamide?
The canonical SMILES for 3-amino-N-[(Z)-(4-anilinophenyl)methylideneamino]-5-nitrobenzamide is Nc1cc(C(=O)N/N=C\c2ccc(Nc3ccccc3)cc2)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-amino-N-[(Z)-(4-anilinophenyl)methylideneamino]-5-nitrobenzamide?
The InChIKey is QGHSJQIRVHOJGI-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H17N5O3/c21-16-10-15(11-19(12-16)25(27)28)20(26)24-22-13-14-6-8-18(9-7-14)23-17-4-2-1-3-5-17/h1-13,23H,21H2,(H,24,26)/b22-13-.
What are the key properties of 3-amino-N-[(Z)-(4-anilinophenyl)methylideneamino]-5-nitrobenzamide?
3-amino-N-[(Z)-(4-anilinophenyl)methylideneamino]-5-nitrobenzamide has a molecular weight of 375.39 g/mol, XLogP of 3.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(Z)-(4-anilinophenyl)methylideneamino]-5-nitrobenzamide is sourced from PubChem (CID 9045102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).