4-chloro-N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]benzamide

C16H14ClN3O4 — CID 5390798

IUPAC4-chloro-N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]benzamide
SMILESCCOc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O4/c1-2-24-15-8-7-14(20(22)23)9-12(15)10-18-19-16(21)11-3-5-13(17)6-4-11/h3-10H,2H2,1H3,(H,19,21)/b18-10-
InChIKeyHKIIRKDQQVPGAA-ZDLGFXPLSA-N
MW347.76 g/mol
LogP3.41
Rot. Bonds6

About 4-chloro-N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]benzamide

4-chloro-N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]benzamide (PubChem CID 5390798) has the molecular formula C16H14ClN3O4 and a molecular weight of 347.76 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]benzamide
PubChem CID5390798
Molecular FormulaC16H14ClN3O4
Molecular Weight347.76 g/mol
Exact Mass347.07
IUPAC Name4-chloro-N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]benzamide
SMILESCCOc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O4/c1-2-24-15-8-7-14(20(22)23)9-12(15)10-18-19-16(21)11-3-5-13(17)6-4-11/h3-10H,2H2,1H3,(H,19,21)/b18-10-
InChIKeyHKIIRKDQQVPGAA-ZDLGFXPLSA-N
XLogP3.41
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.76
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-ethoxy-4-nitrophenolate
CID 7368890
N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 110506678
N-[(E)-[2-(2-amino-2-oxoethoxy)-5-chlorophenyl]methylideneamino]-4-nitrobenzamide
CID 126256356
N-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 17246115
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 126103010
[2-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] 4-chlorobenzoate
CID 126223684
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 110506655
N-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 124549181
[4-chloro-2-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 126229252
[4-nitro-2-[(E)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 126225321
N-[(E)-[5-chloro-2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-propoxybenzamide
CID 133169708
4-chloro-N-[(E)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 21379718

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]benzamide (CID 5390798) is 4-chloro-N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]benzamide is CCOc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]benzamide?
The InChIKey is HKIIRKDQQVPGAA-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H14ClN3O4/c1-2-24-15-8-7-14(20(22)23)9-12(15)10-18-19-16(21)11-3-5-13(17)6-4-11/h3-10H,2H2,1H3,(H,19,21)/b18-10-.
What are the key properties of 4-chloro-N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]benzamide?
4-chloro-N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]benzamide has a molecular weight of 347.76 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 5390798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).