5-chloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-nitrobenzamide

C16H14ClFN2O4 — CID 90622984

IUPAC5-chloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-nitrobenzamide
SMILESCOC(CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc(F)c1
InChIInChI=1S/C16H14ClFN2O4/c1-24-15(10-3-2-4-12(18)7-10)9-19-16(21)13-8-11(17)5-6-14(13)20(22)23/h2-8,15H,9H2,1H3,(H,19,21)
InChIKeyWKCVVPVOXSDLFT-UHFFFAOYSA-N
MW352.75 g/mol
LogP3.50
Rot. Bonds6

About 5-chloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-nitrobenzamide

5-chloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-nitrobenzamide (PubChem CID 90622984) has the molecular formula C16H14ClFN2O4 and a molecular weight of 352.75 g/mol. Its IUPAC name is 5-chloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-nitrobenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-nitrobenzamide
PubChem CID90622984
Molecular FormulaC16H14ClFN2O4
Molecular Weight352.75 g/mol
Exact Mass352.06
IUPAC Name5-chloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-nitrobenzamide
SMILESCOC(CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc(F)c1
InChIInChI=1S/C16H14ClFN2O4/c1-24-15(10-3-2-4-12(18)7-10)9-19-16(21)13-8-11(17)5-6-14(13)20(22)23/h2-8,15H,9H2,1H3,(H,19,21)
InChIKeyWKCVVPVOXSDLFT-UHFFFAOYSA-N
XLogP3.50
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.75
LogP ≤ 53.50
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 5-chloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-nitrobenzamide 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

2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide
CID 90622974
5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-nitrobenzamide
CID 112764505
N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-hydroxy-3-nitrobenzamide
CID 102560043
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2,4-dimethylbenzamide
CID 90622908
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide
CID 90622872
1-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea
CID 90623238
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2-methyl-3-nitrobenzamide
CID 90623331
N-[(2S)-2-(3-chlorophenyl)-2-methoxyethyl]-3-fluoropyridine-4-carboxamide
CID 124607627
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide
CID 90623723
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-methylsulfanyl-2-nitrobenzamide
CID 51305456
5-chloro-N-ethyl-2-nitrobenzamide
CID 3463536
1-(5-chloro-2-methoxyphenyl)-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea
CID 73168483

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-nitrobenzamide?
The IUPAC name of 5-chloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-nitrobenzamide (CID 90622984) is 5-chloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-nitrobenzamide.
What is the SMILES notation for 5-chloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-nitrobenzamide?
The canonical SMILES for 5-chloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-nitrobenzamide is COC(CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc(F)c1.
What is the InChIKey of 5-chloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-nitrobenzamide?
The InChIKey is WKCVVPVOXSDLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O4/c1-24-15(10-3-2-4-12(18)7-10)9-19-16(21)13-8-11(17)5-6-14(13)20(22)23/h2-8,15H,9H2,1H3,(H,19,21).
What are the key properties of 5-chloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-nitrobenzamide?
5-chloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-nitrobenzamide has a molecular weight of 352.75 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-nitrobenzamide is sourced from PubChem (CID 90622984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).