N-(5-chloro-4-nitro-2-phenylmethoxyphenyl)-2-fluorobenzamide

C20H14ClFN2O4 — CID 9399573

IUPACN-(5-chloro-4-nitro-2-phenylmethoxyphenyl)-2-fluorobenzamide
SMILESO=C(Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1)c1ccccc1F
InChIInChI=1S/C20H14ClFN2O4/c21-15-10-17(23-20(25)14-8-4-5-9-16(14)22)19(11-18(15)24(26)27)28-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,23,25)
InChIKeyIQWKYHZUQPHTGG-UHFFFAOYSA-N
MW400.79 g/mol
LogP5.22
Rot. Bonds6

About N-(5-chloro-4-nitro-2-phenylmethoxyphenyl)-2-fluorobenzamide

N-(5-chloro-4-nitro-2-phenylmethoxyphenyl)-2-fluorobenzamide (PubChem CID 9399573) has the molecular formula C20H14ClFN2O4 and a molecular weight of 400.79 g/mol. Its IUPAC name is N-(5-chloro-4-nitro-2-phenylmethoxyphenyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(5-chloro-4-nitro-2-phenylmethoxyphenyl)-2-fluorobenzamide
PubChem CID9399573
Molecular FormulaC20H14ClFN2O4
Molecular Weight400.79 g/mol
Exact Mass400.06
IUPAC NameN-(5-chloro-4-nitro-2-phenylmethoxyphenyl)-2-fluorobenzamide
SMILESO=C(Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1)c1ccccc1F
InChIInChI=1S/C20H14ClFN2O4/c21-15-10-17(23-20(25)14-8-4-5-9-16(14)22)19(11-18(15)24(26)27)28-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,23,25)
InChIKeyIQWKYHZUQPHTGG-UHFFFAOYSA-N
XLogP5.22
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.79
LogP ≤ 55.22
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-(5-chloro-4-nitro-2-phenylmethoxyphenyl)-2-fluorobenzamide 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)-5-methoxy-2-nitro-4-phenylmethoxybenzamide
CID 139213685
N-(5-chloro-2-methyl-4-nitrophenyl)-2-fluorobenzamide;N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 158719874
N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide
CID 18542951
N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
CID 836294
N-(2,5-dimethyl-4-nitrophenyl)-2-fluorobenzamide
CID 103145312
4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide
CID 1105902
2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402900
1-fluoro-4-methyl-5-nitro-2-phenylmethoxybenzene
CID 22414647
N-(2,3-dichlorophenyl)-2-[(4-nitrophenyl)methoxy]benzamide
CID 2216352
2-nitro-N-(2,4,5-trichlorophenyl)benzamide
CID 711434
N-(5-chloro-2-methylphenyl)-2-phenylmethoxybenzamide
CID 4946400
N-[4-chloro-5-[(E)-3-chloroprop-2-enoxy]-2-fluorophenyl]-2-nitrobenzamide
CID 139226474

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-nitro-2-phenylmethoxyphenyl)-2-fluorobenzamide?
The IUPAC name of N-(5-chloro-4-nitro-2-phenylmethoxyphenyl)-2-fluorobenzamide (CID 9399573) is N-(5-chloro-4-nitro-2-phenylmethoxyphenyl)-2-fluorobenzamide.
What is the SMILES notation for N-(5-chloro-4-nitro-2-phenylmethoxyphenyl)-2-fluorobenzamide?
The canonical SMILES for N-(5-chloro-4-nitro-2-phenylmethoxyphenyl)-2-fluorobenzamide is O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1)c1ccccc1F.
What is the InChIKey of N-(5-chloro-4-nitro-2-phenylmethoxyphenyl)-2-fluorobenzamide?
The InChIKey is IQWKYHZUQPHTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN2O4/c21-15-10-17(23-20(25)14-8-4-5-9-16(14)22)19(11-18(15)24(26)27)28-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,23,25).
What are the key properties of N-(5-chloro-4-nitro-2-phenylmethoxyphenyl)-2-fluorobenzamide?
N-(5-chloro-4-nitro-2-phenylmethoxyphenyl)-2-fluorobenzamide has a molecular weight of 400.79 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-nitro-2-phenylmethoxyphenyl)-2-fluorobenzamide is sourced from PubChem (CID 9399573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).