N-[[3-(bromomethyl)phenyl]methyl]-3,5-difluorobenzamide

C15H12BrF2NO — CID 114313062

IUPACN-[[3-(bromomethyl)phenyl]methyl]-3,5-difluorobenzamide
SMILESO=C(NCc1cccc(CBr)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H12BrF2NO/c16-8-10-2-1-3-11(4-10)9-19-15(20)12-5-13(17)7-14(18)6-12/h1-7H,8-9H2,(H,19,20)
InChIKeyXUVXDFWRQBLELT-UHFFFAOYSA-N
MW340.17 g/mol
LogP3.79
Rot. Bonds4

About N-[[3-(bromomethyl)phenyl]methyl]-3,5-difluorobenzamide

N-[[3-(bromomethyl)phenyl]methyl]-3,5-difluorobenzamide (PubChem CID 114313062) has the molecular formula C15H12BrF2NO and a molecular weight of 340.17 g/mol. Its IUPAC name is N-[[3-(bromomethyl)phenyl]methyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[[3-(bromomethyl)phenyl]methyl]-3,5-difluorobenzamide
PubChem CID114313062
Molecular FormulaC15H12BrF2NO
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC NameN-[[3-(bromomethyl)phenyl]methyl]-3,5-difluorobenzamide
SMILESO=C(NCc1cccc(CBr)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H12BrF2NO/c16-8-10-2-1-3-11(4-10)9-19-15(20)12-5-13(17)7-14(18)6-12/h1-7H,8-9H2,(H,19,20)
InChIKeyXUVXDFWRQBLELT-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[[3-(bromomethyl)phenyl]methyl]-3,5-difluorobenzamide 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-(bromomethyl)phenyl]methyl]-2,6-difluorobenzamide
CID 114313059
3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylbenzamide
CID 115663338
N-[[3-(bromomethyl)phenyl]methyl]-2-chloro-4-fluorobenzamide
CID 114312951
N-[[3-(bromomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107677678
N-[[3-(bromomethyl)phenyl]methyl]-3-chloro-5-methylbenzamide
CID 114313048
4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 107216600
N-[[3-(bromomethyl)phenyl]methyl]-2-methylbenzamide
CID 114312955
N-[[3-(bromomethyl)phenyl]methyl]-2-(2,3-difluorophenyl)acetamide
CID 114313198
3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
CID 60893305
N-[[3-(bromomethyl)phenyl]methyl]-3-chloro-2-methylbenzamide
CID 107100164
N-[[3-(bromomethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
CID 114313153
N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide
CID 107022080

Frequently Asked Questions

What is the IUPAC name of N-[[3-(bromomethyl)phenyl]methyl]-3,5-difluorobenzamide?
The IUPAC name of N-[[3-(bromomethyl)phenyl]methyl]-3,5-difluorobenzamide (CID 114313062) is N-[[3-(bromomethyl)phenyl]methyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[[3-(bromomethyl)phenyl]methyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[[3-(bromomethyl)phenyl]methyl]-3,5-difluorobenzamide is O=C(NCc1cccc(CBr)c1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[[3-(bromomethyl)phenyl]methyl]-3,5-difluorobenzamide?
The InChIKey is XUVXDFWRQBLELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO/c16-8-10-2-1-3-11(4-10)9-19-15(20)12-5-13(17)7-14(18)6-12/h1-7H,8-9H2,(H,19,20).
What are the key properties of N-[[3-(bromomethyl)phenyl]methyl]-3,5-difluorobenzamide?
N-[[3-(bromomethyl)phenyl]methyl]-3,5-difluorobenzamide has a molecular weight of 340.17 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(bromomethyl)phenyl]methyl]-3,5-difluorobenzamide is sourced from PubChem (CID 114313062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).