3-[[(3-bromophenyl)methylamino]methyl]-4-fluorobenzamide

C15H14BrFN2O — CID 61401068

IUPAC3-[[(3-bromophenyl)methylamino]methyl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(CNCc2cccc(Br)c2)c1
InChIInChI=1S/C15H14BrFN2O/c16-13-3-1-2-10(6-13)8-19-9-12-7-11(15(18)20)4-5-14(12)17/h1-7,19H,8-9H2,(H2,18,20)
InChIKeyITJJQBDGVYMCMN-UHFFFAOYSA-N
MW337.19 g/mol
LogP2.98
Rot. Bonds5

About 3-[[(3-bromophenyl)methylamino]methyl]-4-fluorobenzamide

3-[[(3-bromophenyl)methylamino]methyl]-4-fluorobenzamide (PubChem CID 61401068) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 3-[[(3-bromophenyl)methylamino]methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[[(3-bromophenyl)methylamino]methyl]-4-fluorobenzamide
PubChem CID61401068
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name3-[[(3-bromophenyl)methylamino]methyl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(CNCc2cccc(Br)c2)c1
InChIInChI=1S/C15H14BrFN2O/c16-13-3-1-2-10(6-13)8-19-9-12-7-11(15(18)20)4-5-14(12)17/h1-7,19H,8-9H2,(H2,18,20)
InChIKeyITJJQBDGVYMCMN-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[(3-bromophenyl)methylamino]methyl]-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

3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-4-fluorobenzamide
CID 62537793
3-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77032410
3-[(benzylamino)methyl]-4-fluorobenzoic acid
CID 68881519
3-[(2,5-dibromoanilino)methyl]-4-fluorobenzamide
CID 61466855
4-fluoro-3-[[(6-methyl-3-pyridinyl)methylamino]methyl]benzamide
CID 62996754
4-[[(3-fluorophenyl)methylamino]methyl]-3-methylbenzamide
CID 114479786
4-fluoro-3-[(3-hydroxypropylamino)methyl]benzamide
CID 43499997
4-fluoro-3-[(phenylmethoxyamino)methyl]benzamide
CID 64974498
3-chloro-4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]benzamide
CID 102664463
3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide
CID 61400953
3-[(2,3-dimethylbutylamino)methyl]-4-fluorobenzamide
CID 64570943
3-[(2,6-dimethylanilino)methyl]-4-fluorobenzamide
CID 62331910

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-bromophenyl)methylamino]methyl]-4-fluorobenzamide?
The IUPAC name of 3-[[(3-bromophenyl)methylamino]methyl]-4-fluorobenzamide (CID 61401068) is 3-[[(3-bromophenyl)methylamino]methyl]-4-fluorobenzamide.
What is the SMILES notation for 3-[[(3-bromophenyl)methylamino]methyl]-4-fluorobenzamide?
The canonical SMILES for 3-[[(3-bromophenyl)methylamino]methyl]-4-fluorobenzamide is NC(=O)c1ccc(F)c(CNCc2cccc(Br)c2)c1.
What is the InChIKey of 3-[[(3-bromophenyl)methylamino]methyl]-4-fluorobenzamide?
The InChIKey is ITJJQBDGVYMCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c16-13-3-1-2-10(6-13)8-19-9-12-7-11(15(18)20)4-5-14(12)17/h1-7,19H,8-9H2,(H2,18,20).
What are the key properties of 3-[[(3-bromophenyl)methylamino]methyl]-4-fluorobenzamide?
3-[[(3-bromophenyl)methylamino]methyl]-4-fluorobenzamide has a molecular weight of 337.19 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-bromophenyl)methylamino]methyl]-4-fluorobenzamide is sourced from PubChem (CID 61401068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).