3-chloro-4-fluoro-N-(3-formylphenyl)benzamide

C14H9ClFNO2 — CID 106912747

IUPAC3-chloro-4-fluoro-N-(3-formylphenyl)benzamide
SMILESO=Cc1cccc(NC(=O)c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C14H9ClFNO2/c15-12-7-10(4-5-13(12)16)14(19)17-11-3-1-2-9(6-11)8-18/h1-8H,(H,17,19)
InChIKeyMMFNLHHYVOYOOH-UHFFFAOYSA-N
MW277.68 g/mol
LogP3.54
Rot. Bonds3

About 3-chloro-4-fluoro-N-(3-formylphenyl)benzamide

3-chloro-4-fluoro-N-(3-formylphenyl)benzamide (PubChem CID 106912747) has the molecular formula C14H9ClFNO2 and a molecular weight of 277.68 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(3-formylphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(3-formylphenyl)benzamide
PubChem CID106912747
Molecular FormulaC14H9ClFNO2
Molecular Weight277.68 g/mol
Exact Mass277.03
IUPAC Name3-chloro-4-fluoro-N-(3-formylphenyl)benzamide
SMILESO=Cc1cccc(NC(=O)c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C14H9ClFNO2/c15-12-7-10(4-5-13(12)16)14(19)17-11-3-1-2-9(6-11)8-18/h1-8H,(H,17,19)
InChIKeyMMFNLHHYVOYOOH-UHFFFAOYSA-N
XLogP3.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.68
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-chloro-4-fluoro-N-(3-formylphenyl)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-(3-acetamidophenyl)-3-chloro-4-fluorobenzamide
CID 110764762
N-(3-formylphenyl)-4-methylbenzamide
CID 2339361
3-chloro-4-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 82876177
N-(3-chloro-4-fluorophenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 26166587
3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 26166664
N,N'-bis[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]hexanediamide
CID 43878146
N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide
CID 82875366
4-chloro-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide
CID 67712313
3-bromo-N-(3-chloro-4-fluorophenyl)benzamide
CID 789113
1-(2,5-dichlorophenyl)-3-(3-formylphenyl)urea
CID 106912821
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528
3-chloro-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 121261386

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(3-formylphenyl)benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-(3-formylphenyl)benzamide (CID 106912747) is 3-chloro-4-fluoro-N-(3-formylphenyl)benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(3-formylphenyl)benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(3-formylphenyl)benzamide is O=Cc1cccc(NC(=O)c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(3-formylphenyl)benzamide?
The InChIKey is MMFNLHHYVOYOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO2/c15-12-7-10(4-5-13(12)16)14(19)17-11-3-1-2-9(6-11)8-18/h1-8H,(H,17,19).
What are the key properties of 3-chloro-4-fluoro-N-(3-formylphenyl)benzamide?
3-chloro-4-fluoro-N-(3-formylphenyl)benzamide has a molecular weight of 277.68 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(3-formylphenyl)benzamide is sourced from PubChem (CID 106912747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).