3-[1-(2-bromo-4-fluorophenyl)ethylamino]benzamide

C15H14BrFN2O — CID 103935912

IUPAC3-[1-(2-bromo-4-fluorophenyl)ethylamino]benzamide
SMILESCC(Nc1cccc(C(N)=O)c1)c1ccc(F)cc1Br
InChIInChI=1S/C15H14BrFN2O/c1-9(13-6-5-11(17)8-14(13)16)19-12-4-2-3-10(7-12)15(18)20/h2-9,19H,1H3,(H2,18,20)
InChIKeyOIDBBVZYMUZLGH-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.86
Rot. Bonds4

About 3-[1-(2-bromo-4-fluorophenyl)ethylamino]benzamide

3-[1-(2-bromo-4-fluorophenyl)ethylamino]benzamide (PubChem CID 103935912) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 3-[1-(2-bromo-4-fluorophenyl)ethylamino]benzamide.

Molecular Properties

Compound Name3-[1-(2-bromo-4-fluorophenyl)ethylamino]benzamide
PubChem CID103935912
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name3-[1-(2-bromo-4-fluorophenyl)ethylamino]benzamide
SMILESCC(Nc1cccc(C(N)=O)c1)c1ccc(F)cc1Br
InChIInChI=1S/C15H14BrFN2O/c1-9(13-6-5-11(17)8-14(13)16)19-12-4-2-3-10(7-12)15(18)20/h2-9,19H,1H3,(H2,18,20)
InChIKeyOIDBBVZYMUZLGH-UHFFFAOYSA-N
XLogP3.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[1-(2-bromo-4-fluorophenyl)ethylamino]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

tert-butyl N-[3-[1-(2-bromo-4-fluorophenyl)ethylamino]phenyl]carbamate
CID 114068440
3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide
CID 28650557
3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]benzamide
CID 43767602
4-[1-(2,4-dibromophenyl)ethylamino]benzamide
CID 60781228
3-[1-(2-methoxy-4-methylphenyl)ethylamino]benzamide
CID 43767621
2-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-methylbutanamide
CID 106344381
N-[1-(2-bromo-4-fluorophenyl)ethyl]-6-fluoropyridin-3-amine
CID 114068495
3-[1-(4-hydroxyphenyl)ethylamino]benzamide
CID 43202853
3-[1-(4-ethylphenyl)ethylamino]benzamide
CID 43202914
ethyl 3-[1-(2-bromophenyl)ethylamino]benzoate;hydrochloride
CID 172883178
methyl 2-(3-carbamoylanilino)propanoate
CID 66174696
3-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]benzamide
CID 135378436

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-bromo-4-fluorophenyl)ethylamino]benzamide?
The IUPAC name of 3-[1-(2-bromo-4-fluorophenyl)ethylamino]benzamide (CID 103935912) is 3-[1-(2-bromo-4-fluorophenyl)ethylamino]benzamide.
What is the SMILES notation for 3-[1-(2-bromo-4-fluorophenyl)ethylamino]benzamide?
The canonical SMILES for 3-[1-(2-bromo-4-fluorophenyl)ethylamino]benzamide is CC(Nc1cccc(C(N)=O)c1)c1ccc(F)cc1Br.
What is the InChIKey of 3-[1-(2-bromo-4-fluorophenyl)ethylamino]benzamide?
The InChIKey is OIDBBVZYMUZLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-9(13-6-5-11(17)8-14(13)16)19-12-4-2-3-10(7-12)15(18)20/h2-9,19H,1H3,(H2,18,20).
What are the key properties of 3-[1-(2-bromo-4-fluorophenyl)ethylamino]benzamide?
3-[1-(2-bromo-4-fluorophenyl)ethylamino]benzamide has a molecular weight of 337.19 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-bromo-4-fluorophenyl)ethylamino]benzamide is sourced from PubChem (CID 103935912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).