N-[(4-bromophenyl)methyl]-2,4,6-trifluorobenzamide

C14H9BrF3NO — CID 65099122

IUPACN-[(4-bromophenyl)methyl]-2,4,6-trifluorobenzamide
SMILESO=C(NCc1ccc(Br)cc1)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H9BrF3NO/c15-9-3-1-8(2-4-9)7-19-14(20)13-11(17)5-10(16)6-12(13)18/h1-6H,7H2,(H,19,20)
InChIKeyKSXSGBDVEULUBE-UHFFFAOYSA-N
MW344.13 g/mol
LogP3.80
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-2,4,6-trifluorobenzamide

N-[(4-bromophenyl)methyl]-2,4,6-trifluorobenzamide (PubChem CID 65099122) has the molecular formula C14H9BrF3NO and a molecular weight of 344.13 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2,4,6-trifluorobenzamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2,4,6-trifluorobenzamide
PubChem CID65099122
Molecular FormulaC14H9BrF3NO
Molecular Weight344.13 g/mol
Exact Mass342.98
IUPAC NameN-[(4-bromophenyl)methyl]-2,4,6-trifluorobenzamide
SMILESO=C(NCc1ccc(Br)cc1)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H9BrF3NO/c15-9-3-1-8(2-4-9)7-19-14(20)13-11(17)5-10(16)6-12(13)18/h1-6H,7H2,(H,19,20)
InChIKeyKSXSGBDVEULUBE-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.13
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-bromophenyl)methyl]-2,4,6-trifluorobenzamide 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-N-[(4-ethylphenyl)methyl]-2,6-difluorobenzamide
CID 103746958
N-[(4-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917477
N-(4-bromophenyl)-2,4,6-trifluorobenzamide
CID 65098972
5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-fluorobenzamide
CID 107233860
N-[(4-bromophenyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 107015007
4-bromo-2-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577900
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
1-[(4-bromophenyl)methyl]-3-(2,4-difluorophenyl)urea
CID 60969569
2,3,4,5,6-pentafluoro-N-[[4-[[(2,3,4,5,6-pentafluorobenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4597287
N-[(4-bromophenyl)methyl]-5-fluoro-3-methylpyridine-2-carboxamide
CID 146074922
5-bromo-2-fluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8545995
1-[(4-bromophenyl)methyl]-3-[(3-fluorophenyl)methyl]urea
CID 108898606

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2,4,6-trifluorobenzamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2,4,6-trifluorobenzamide (CID 65099122) is N-[(4-bromophenyl)methyl]-2,4,6-trifluorobenzamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2,4,6-trifluorobenzamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2,4,6-trifluorobenzamide is O=C(NCc1ccc(Br)cc1)c1c(F)cc(F)cc1F.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2,4,6-trifluorobenzamide?
The InChIKey is KSXSGBDVEULUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3NO/c15-9-3-1-8(2-4-9)7-19-14(20)13-11(17)5-10(16)6-12(13)18/h1-6H,7H2,(H,19,20).
What are the key properties of N-[(4-bromophenyl)methyl]-2,4,6-trifluorobenzamide?
N-[(4-bromophenyl)methyl]-2,4,6-trifluorobenzamide has a molecular weight of 344.13 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2,4,6-trifluorobenzamide is sourced from PubChem (CID 65099122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).