2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide

C15H12ClN3O4 — CID 958341

IUPAC2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
SMILESCOc1ccc(C=NNC(=O)c2ccccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H12ClN3O4/c1-23-14-7-6-10(8-13(14)19(21)22)9-17-18-15(20)11-4-2-3-5-12(11)16/h2-9H,1H3,(H,18,20)
InChIKeyQIVMWZFZQXCEFT-UHFFFAOYSA-N
MW333.73 g/mol
LogP3.02
Rot. Bonds5

About 2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide

2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide (PubChem CID 958341) has the molecular formula C15H12ClN3O4 and a molecular weight of 333.73 g/mol. Its IUPAC name is 2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
PubChem CID958341
Molecular FormulaC15H12ClN3O4
Molecular Weight333.73 g/mol
Exact Mass333.05
IUPAC Name2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
SMILESCOc1ccc(C=NNC(=O)c2ccccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H12ClN3O4/c1-23-14-7-6-10(8-13(14)19(21)22)9-17-18-15(20)11-4-2-3-5-12(11)16/h2-9H,1H3,(H,18,20)
InChIKeyQIVMWZFZQXCEFT-UHFFFAOYSA-N
XLogP3.02
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.73
LogP ≤ 53.02
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

N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 19165666
2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135696942
2-chloro-N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]benzamide
CID 42992282
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657832
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-chlorobenzamide
CID 5450738
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 110505855
N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-nitrobenzamide
CID 136844919
[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea
CID 71670048
4-fluoro-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 98090583
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 2245175
2-chloro-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509304

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide (CID 958341) is 2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide is COc1ccc(C=NNC(=O)c2ccccc2Cl)cc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide?
The InChIKey is QIVMWZFZQXCEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O4/c1-23-14-7-6-10(8-13(14)19(21)22)9-17-18-15(20)11-4-2-3-5-12(11)16/h2-9H,1H3,(H,18,20).
What are the key properties of 2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide?
2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide has a molecular weight of 333.73 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 958341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).