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

C17H16ClN3O4 — CID 4931391

IUPACN-[(4-chloro-3-nitrophenyl)methylideneamino]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C17H16ClN3O4/c1-2-9-25-16-6-4-3-5-13(16)17(22)20-19-11-12-7-8-14(18)15(10-12)21(23)24/h3-8,10-11H,2,9H2,1H3,(H,20,22)
InChIKeyQUEWXLOGQHLNTK-UHFFFAOYSA-N
MW361.79 g/mol
LogP3.80
Rot. Bonds7

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

N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-propoxybenzamide (PubChem CID 4931391) has the molecular formula C17H16ClN3O4 and a molecular weight of 361.79 g/mol. Its IUPAC name is N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-propoxybenzamide.

Molecular Properties

Compound NameN-[(4-chloro-3-nitrophenyl)methylideneamino]-2-propoxybenzamide
PubChem CID4931391
Molecular FormulaC17H16ClN3O4
Molecular Weight361.79 g/mol
Exact Mass361.08
IUPAC NameN-[(4-chloro-3-nitrophenyl)methylideneamino]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C17H16ClN3O4/c1-2-9-25-16-6-4-3-5-13(16)17(22)20-19-11-12-7-8-14(18)15(10-12)21(23)24/h3-8,10-11H,2,9H2,1H3,(H,20,22)
InChIKeyQUEWXLOGQHLNTK-UHFFFAOYSA-N
XLogP3.80
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 53.80
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-[(2-chlorophenyl)methoxy]-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide
CID 19657462
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-iodobenzamide
CID 1123704
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 3961255
2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 958341
2-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 135601206
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657832
N-[(4-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931427
N-[(2,4-dichlorophenyl)methylideneamino]-2-propoxybenzamide
CID 4931422
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5431937
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-(2-nitrophenoxy)propanamide
CID 5061893
2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135696942
3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]benzamide
CID 693438

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-propoxybenzamide?
The IUPAC name of N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-propoxybenzamide (CID 4931391) is N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-propoxybenzamide.
What is the SMILES notation for N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-propoxybenzamide?
The canonical SMILES for N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-propoxybenzamide is CCCOc1ccccc1C(=O)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-propoxybenzamide?
The InChIKey is QUEWXLOGQHLNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4/c1-2-9-25-16-6-4-3-5-13(16)17(22)20-19-11-12-7-8-14(18)15(10-12)21(23)24/h3-8,10-11H,2,9H2,1H3,(H,20,22).
What are the key properties of N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-propoxybenzamide?
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-propoxybenzamide has a molecular weight of 361.79 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-propoxybenzamide is sourced from PubChem (CID 4931391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).