N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitrobenzamide

C15H12ClN3O3 — CID 5396796

IUPACN-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitrobenzamide
SMILESC/C(=N/NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O3/c1-10(11-6-8-12(16)9-7-11)17-18-15(20)13-4-2-3-5-14(13)19(21)22/h2-9H,1H3,(H,18,20)/b17-10-
InChIKeyVSPXKWKZGVYMEC-YVLHZVERSA-N
MW317.73 g/mol
LogP3.40
Rot. Bonds4

About N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitrobenzamide

N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitrobenzamide (PubChem CID 5396796) has the molecular formula C15H12ClN3O3 and a molecular weight of 317.73 g/mol. Its IUPAC name is N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitrobenzamide
PubChem CID5396796
Molecular FormulaC15H12ClN3O3
Molecular Weight317.73 g/mol
Exact Mass317.06
IUPAC NameN-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitrobenzamide
SMILESC/C(=N/NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O3/c1-10(11-6-8-12(16)9-7-11)17-18-15(20)13-4-2-3-5-14(13)19(21)22/h2-9H,1H3,(H,18,20)/b17-10-
InChIKeyVSPXKWKZGVYMEC-YVLHZVERSA-N
XLogP3.40
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-3-nitrobenzamide
CID 3139256
N-[1-(4-ethoxyphenyl)ethylideneamino]-2-nitrobenzamide
CID 840527
2-chloro-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]benzamide
CID 7937156
4-chloro-N-[1-(4-chlorophenyl)ethylideneamino]-3-nitrobenzamide
CID 3407766
2-nitro-N-(1-pyridin-3-ylethylideneamino)benzamide
CID 5154490
N-[1-(3-aminophenyl)ethylideneamino]-2-nitrobenzamide
CID 769756
4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 5396833
N-[4-[C-methyl-N-[(2-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4109488
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 6088615
2-amino-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 796032
N-[1-(4-chlorophenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide
CID 4578193

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitrobenzamide?
The IUPAC name of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitrobenzamide (CID 5396796) is N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitrobenzamide.
What is the SMILES notation for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitrobenzamide?
The canonical SMILES for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitrobenzamide is C/C(=N/NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1.
What is the InChIKey of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitrobenzamide?
The InChIKey is VSPXKWKZGVYMEC-YVLHZVERSA-N. The full InChI is InChI=1S/C15H12ClN3O3/c1-10(11-6-8-12(16)9-7-11)17-18-15(20)13-4-2-3-5-14(13)19(21)22/h2-9H,1H3,(H,18,20)/b17-10-.
What are the key properties of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitrobenzamide?
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitrobenzamide has a molecular weight of 317.73 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitrobenzamide is sourced from PubChem (CID 5396796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).