4-bromo-3-fluoro-N-[(4-methylphenyl)methyl]benzamide

C15H13BrFNO — CID 47421954

IUPAC4-bromo-3-fluoro-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C15H13BrFNO/c1-10-2-4-11(5-3-10)9-18-15(19)12-6-7-13(16)14(17)8-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyHQQMTIDZISJIFT-UHFFFAOYSA-N
MW322.18 g/mol
LogP3.83
Rot. Bonds3

About 4-bromo-3-fluoro-N-[(4-methylphenyl)methyl]benzamide

4-bromo-3-fluoro-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 47421954) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-[(4-methylphenyl)methyl]benzamide
PubChem CID47421954
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name4-bromo-3-fluoro-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C15H13BrFNO/c1-10-2-4-11(5-3-10)9-18-15(19)12-6-7-13(16)14(17)8-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyHQQMTIDZISJIFT-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-3-fluoro-N-[(4-methylphenyl)methyl]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

4-bromo-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 63525830
3-bromo-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 27259778
4-bromo-3-fluoro-N-(2-oxopropyl)benzamide
CID 64996616
4-bromo-3-fluoro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 47450227
4-N-(2,4-difluorophenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046989
3-bromo-N-[(4-hydroxyphenyl)methyl]-4-methylbenzamide
CID 115671047
4-bromo-3-fluoro-N-[2-(3-methylphenyl)ethyl]benzamide
CID 60611411
methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate
CID 47421773
4-bromo-3-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 47421922
N-[[4-(bromomethyl)phenyl]methyl]-4-fluoro-3-methylbenzamide
CID 107233716
4-bromo-3-fluoro-N-(2-fluoroethyl)benzamide
CID 130478173
3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-[(4-methylphenyl)methyl]benzamide (CID 47421954) is 4-bromo-3-fluoro-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccc(Br)c(F)c2)cc1.
What is the InChIKey of 4-bromo-3-fluoro-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is HQQMTIDZISJIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-10-2-4-11(5-3-10)9-18-15(19)12-6-7-13(16)14(17)8-12/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 4-bromo-3-fluoro-N-[(4-methylphenyl)methyl]benzamide?
4-bromo-3-fluoro-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 322.18 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 47421954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).