N-[1-(3-aminophenyl)ethylideneamino]-2-nitrobenzamide

C15H14N4O3 — CID 769756

IUPACN-[1-(3-aminophenyl)ethylideneamino]-2-nitrobenzamide
SMILESCC(=NNC(=O)c1ccccc1[N+](=O)[O-])c1cccc(N)c1
InChIInChI=1S/C15H14N4O3/c1-10(11-5-4-6-12(16)9-11)17-18-15(20)13-7-2-3-8-14(13)19(21)22/h2-9H,16H2,1H3,(H,18,20)
InChIKeyBZPVNVPWWIHEJT-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.33
Rot. Bonds4

About N-[1-(3-aminophenyl)ethylideneamino]-2-nitrobenzamide

N-[1-(3-aminophenyl)ethylideneamino]-2-nitrobenzamide (PubChem CID 769756) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethylideneamino]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethylideneamino]-2-nitrobenzamide
PubChem CID769756
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC NameN-[1-(3-aminophenyl)ethylideneamino]-2-nitrobenzamide
SMILESCC(=NNC(=O)c1ccccc1[N+](=O)[O-])c1cccc(N)c1
InChIInChI=1S/C15H14N4O3/c1-10(11-5-4-6-12(16)9-11)17-18-15(20)13-7-2-3-8-14(13)19(21)22/h2-9H,16H2,1H3,(H,18,20)
InChIKeyBZPVNVPWWIHEJT-UHFFFAOYSA-N
XLogP2.33
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.33
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

N-[(E)-1-(3-aminophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 19685688
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitrobenzamide
CID 5396796
2-nitro-N-(1-pyridin-3-ylethylideneamino)benzamide
CID 5154490
N-[(E)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-nitrobenzamide
CID 40568232
2-chloro-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]benzamide
CID 7937156
N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide
CID 19685958
N-[1-(4-ethoxyphenyl)ethylideneamino]-2-nitrobenzamide
CID 840527
N-[(E)-1-(3-aminophenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 17337828
2-bromo-N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]benzamide
CID 6145272
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide
CID 5416580
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide
CID 5376677
2-amino-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 796032

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethylideneamino]-2-nitrobenzamide?
The IUPAC name of N-[1-(3-aminophenyl)ethylideneamino]-2-nitrobenzamide (CID 769756) is N-[1-(3-aminophenyl)ethylideneamino]-2-nitrobenzamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethylideneamino]-2-nitrobenzamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethylideneamino]-2-nitrobenzamide is CC(=NNC(=O)c1ccccc1[N+](=O)[O-])c1cccc(N)c1.
What is the InChIKey of N-[1-(3-aminophenyl)ethylideneamino]-2-nitrobenzamide?
The InChIKey is BZPVNVPWWIHEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-10(11-5-4-6-12(16)9-11)17-18-15(20)13-7-2-3-8-14(13)19(21)22/h2-9H,16H2,1H3,(H,18,20).
What are the key properties of N-[1-(3-aminophenyl)ethylideneamino]-2-nitrobenzamide?
N-[1-(3-aminophenyl)ethylideneamino]-2-nitrobenzamide has a molecular weight of 298.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethylideneamino]-2-nitrobenzamide is sourced from PubChem (CID 769756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).