3-bromo-N-[4-(chloromethyl)phenyl]-4-fluorobenzamide

C14H10BrClFNO — CID 107956665

IUPAC3-bromo-N-[4-(chloromethyl)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(CCl)cc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H10BrClFNO/c15-12-7-10(3-6-13(12)17)14(19)18-11-4-1-9(8-16)2-5-11/h1-7H,8H2,(H,18,19)
InChIKeyCCCOGKISAQZSNM-UHFFFAOYSA-N
MW342.60 g/mol
LogP4.58
Rot. Bonds3

About 3-bromo-N-[4-(chloromethyl)phenyl]-4-fluorobenzamide

3-bromo-N-[4-(chloromethyl)phenyl]-4-fluorobenzamide (PubChem CID 107956665) has the molecular formula C14H10BrClFNO and a molecular weight of 342.60 g/mol. Its IUPAC name is 3-bromo-N-[4-(chloromethyl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(chloromethyl)phenyl]-4-fluorobenzamide
PubChem CID107956665
Molecular FormulaC14H10BrClFNO
Molecular Weight342.60 g/mol
Exact Mass340.96
IUPAC Name3-bromo-N-[4-(chloromethyl)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(CCl)cc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H10BrClFNO/c15-12-7-10(3-6-13(12)17)14(19)18-11-4-1-9(8-16)2-5-11/h1-7H,8H2,(H,18,19)
InChIKeyCCCOGKISAQZSNM-UHFFFAOYSA-N
XLogP4.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-bromo-N-[4-(chloromethyl)phenyl]-4-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

4-(chloromethyl)-N-(4-chlorophenyl)benzamide
CID 43333316
N-[4-(chloromethyl)phenyl]-4-fluoro-3-methoxybenzamide
CID 114299823
3-bromo-N-(4-chloro-3-hydroxyphenyl)-4-fluorobenzamide
CID 107953628
2-bromo-4-chloro-N-[4-(chloromethyl)phenyl]benzamide
CID 107993837
3-bromo-4-fluoro-N-(4-propoxyphenyl)benzamide
CID 107952344
4-bromo-N-(3-bromo-4-fluorophenyl)-3-hydroxybenzamide
CID 113342873
3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 103707295
3-bromo-4-fluoro-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 107953830
N-[3-(aminomethyl)phenyl]-3-bromo-4-fluorobenzamide
CID 103804951
N-[4-(chloromethyl)phenyl]-2,5-difluorobenzamide
CID 114299996
N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 115661442
3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706269

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(chloromethyl)phenyl]-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-[4-(chloromethyl)phenyl]-4-fluorobenzamide (CID 107956665) is 3-bromo-N-[4-(chloromethyl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-[4-(chloromethyl)phenyl]-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-[4-(chloromethyl)phenyl]-4-fluorobenzamide is O=C(Nc1ccc(CCl)cc1)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-[4-(chloromethyl)phenyl]-4-fluorobenzamide?
The InChIKey is CCCOGKISAQZSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO/c15-12-7-10(3-6-13(12)17)14(19)18-11-4-1-9(8-16)2-5-11/h1-7H,8H2,(H,18,19).
What are the key properties of 3-bromo-N-[4-(chloromethyl)phenyl]-4-fluorobenzamide?
3-bromo-N-[4-(chloromethyl)phenyl]-4-fluorobenzamide has a molecular weight of 342.60 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(chloromethyl)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 107956665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).