3-bromo-5-fluoro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide

C19H22BrFN2O — CID 46474128

IUPAC3-bromo-5-fluoro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
SMILESCC(C)N(C)Cc1ccccc1CNC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C19H22BrFN2O/c1-13(2)23(3)12-15-7-5-4-6-14(15)11-22-19(24)16-8-17(20)10-18(21)9-16/h4-10,13H,11-12H2,1-3H3,(H,22,24)
InChIKeyUXKCVEZVQKQDPP-UHFFFAOYSA-N
MW393.30 g/mol
LogP4.36
Rot. Bonds6

About 3-bromo-5-fluoro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide

3-bromo-5-fluoro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide (PubChem CID 46474128) has the molecular formula C19H22BrFN2O and a molecular weight of 393.30 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
PubChem CID46474128
Molecular FormulaC19H22BrFN2O
Molecular Weight393.30 g/mol
Exact Mass392.09
IUPAC Name3-bromo-5-fluoro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
SMILESCC(C)N(C)Cc1ccccc1CNC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C19H22BrFN2O/c1-13(2)23(3)12-15-7-5-4-6-14(15)11-22-19(24)16-8-17(20)10-18(21)9-16/h4-10,13H,11-12H2,1-3H3,(H,22,24)
InChIKeyUXKCVEZVQKQDPP-UHFFFAOYSA-N
XLogP4.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-5-fluoro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]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-2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 55837884
3-bromo-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-5-fluorobenzamide
CID 55715109
3-bromo-5-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 110410177
3-bromo-5-fluoro-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 46476520
2-(4-bromophenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]acetamide
CID 46470222
3-chloro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 46470339
2-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide;dihydrochloride
CID 119946480
6-fluoro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide
CID 78905324
4-(difluoromethylsulfonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 55694979
3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide
CID 103909337
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 55694833
7-chloro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 46455660

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide?
The IUPAC name of 3-bromo-5-fluoro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide (CID 46474128) is 3-bromo-5-fluoro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide?
The canonical SMILES for 3-bromo-5-fluoro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide is CC(C)N(C)Cc1ccccc1CNC(=O)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-5-fluoro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide?
The InChIKey is UXKCVEZVQKQDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrFN2O/c1-13(2)23(3)12-15-7-5-4-6-14(15)11-22-19(24)16-8-17(20)10-18(21)9-16/h4-10,13H,11-12H2,1-3H3,(H,22,24).
What are the key properties of 3-bromo-5-fluoro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide?
3-bromo-5-fluoro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide has a molecular weight of 393.30 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 46474128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).