N-(2,3-dichlorophenyl)-2-[(4-nitrophenyl)methoxy]benzamide

C20H14Cl2N2O4 — CID 2216352

IUPACN-(2,3-dichlorophenyl)-2-[(4-nitrophenyl)methoxy]benzamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1ccccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H14Cl2N2O4/c21-16-5-3-6-17(19(16)22)23-20(25)15-4-1-2-7-18(15)28-12-13-8-10-14(11-9-13)24(26)27/h1-11H,12H2,(H,23,25)
InChIKeyOUGCNNPKNKCHQQ-UHFFFAOYSA-N
MW417.25 g/mol
LogP5.73
Rot. Bonds6

About N-(2,3-dichlorophenyl)-2-[(4-nitrophenyl)methoxy]benzamide

N-(2,3-dichlorophenyl)-2-[(4-nitrophenyl)methoxy]benzamide (PubChem CID 2216352) has the molecular formula C20H14Cl2N2O4 and a molecular weight of 417.25 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[(4-nitrophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[(4-nitrophenyl)methoxy]benzamide
PubChem CID2216352
Molecular FormulaC20H14Cl2N2O4
Molecular Weight417.25 g/mol
Exact Mass416.03
IUPAC NameN-(2,3-dichlorophenyl)-2-[(4-nitrophenyl)methoxy]benzamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1ccccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H14Cl2N2O4/c21-16-5-3-6-17(19(16)22)23-20(25)15-4-1-2-7-18(15)28-12-13-8-10-14(11-9-13)24(26)27/h1-11H,12H2,(H,23,25)
InChIKeyOUGCNNPKNKCHQQ-UHFFFAOYSA-N
XLogP5.73
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.25
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,3-dichlorophenyl)-2-[(4-nitrophenyl)methoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chlorophenyl)-2-[(4-chlorophenyl)methoxy]benzamide
CID 7947681
N-(2-chloro-4-nitrophenyl)-2-ethoxybenzamide
CID 2931673
2-[[2-[(4-chlorophenyl)methoxy]benzoyl]amino]-N-methylbenzamide
CID 16566015
N-(2-chloro-5-nitrophenyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19415750
N-(2,3-dichlorophenyl)-N'-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 4666995
[2-[(2,3-dichlorophenyl)carbamoyl]phenyl] acetate
CID 3368365
1-chloro-2-(chloromethyl)-3-[(4-nitrophenyl)methoxy]benzene
CID 114320815
2,3-dichloro-N-(4-nitrophenyl)benzamide
CID 2896612
N-(2-fluorophenyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 26115053
3-[(4-nitrophenyl)methoxy]benzene-1,2-diol
CID 139940676
N-[(E)-[3,5-diiodo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657830
(Z)-3-[2-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
CID 124534655

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[(4-nitrophenyl)methoxy]benzamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[(4-nitrophenyl)methoxy]benzamide (CID 2216352) is N-(2,3-dichlorophenyl)-2-[(4-nitrophenyl)methoxy]benzamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[(4-nitrophenyl)methoxy]benzamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[(4-nitrophenyl)methoxy]benzamide is O=C(Nc1cccc(Cl)c1Cl)c1ccccc1OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[(4-nitrophenyl)methoxy]benzamide?
The InChIKey is OUGCNNPKNKCHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O4/c21-16-5-3-6-17(19(16)22)23-20(25)15-4-1-2-7-18(15)28-12-13-8-10-14(11-9-13)24(26)27/h1-11H,12H2,(H,23,25).
What are the key properties of N-(2,3-dichlorophenyl)-2-[(4-nitrophenyl)methoxy]benzamide?
N-(2,3-dichlorophenyl)-2-[(4-nitrophenyl)methoxy]benzamide has a molecular weight of 417.25 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[(4-nitrophenyl)methoxy]benzamide is sourced from PubChem (CID 2216352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).