N-(2-amino-2-phenylethyl)-3-bromo-4-fluorobenzamide

C15H14BrFN2O — CID 103806531

IUPACN-(2-amino-2-phenylethyl)-3-bromo-4-fluorobenzamide
SMILESNC(CNC(=O)c1ccc(F)c(Br)c1)c1ccccc1
InChIInChI=1S/C15H14BrFN2O/c16-12-8-11(6-7-13(12)17)15(20)19-9-14(18)10-4-2-1-3-5-10/h1-8,14H,9,18H2,(H,19,20)
InChIKeyFNQJVSVBLHHTOA-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.02
Rot. Bonds4

About N-(2-amino-2-phenylethyl)-3-bromo-4-fluorobenzamide

N-(2-amino-2-phenylethyl)-3-bromo-4-fluorobenzamide (PubChem CID 103806531) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-3-bromo-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-3-bromo-4-fluorobenzamide
PubChem CID103806531
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC NameN-(2-amino-2-phenylethyl)-3-bromo-4-fluorobenzamide
SMILESNC(CNC(=O)c1ccc(F)c(Br)c1)c1ccccc1
InChIInChI=1S/C15H14BrFN2O/c16-12-8-11(6-7-13(12)17)15(20)19-9-14(18)10-4-2-1-3-5-10/h1-8,14H,9,18H2,(H,19,20)
InChIKeyFNQJVSVBLHHTOA-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-amino-2-phenylethyl)-3-bromo-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

N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide
CID 63120380
N-(2-aminopropyl)-3-bromo-4-fluorobenzamide
CID 107956111
N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide
CID 63120465
2-[(3-bromo-4-fluorobenzoyl)amino]-2-phenylacetic acid
CID 103790488
3-bromo-N-(2-bromo-3-methylbutyl)-4-fluorobenzamide
CID 107956828
methyl 3-[(3-bromo-4-fluorobenzoyl)amino]-2-iodopropanoate
CID 107956905
N-(2-amino-2-phenylethyl)-2,5-difluorobenzamide
CID 63120448
3-bromo-N-(2-bromo-3-ethylpentyl)-4-fluorobenzamide
CID 106288362
N-(2-amino-2-phenylethyl)-2,6-difluorobenzamide
CID 63120453
N-(2-amino-2-phenylethyl)-4-methylsulfanylbenzamide
CID 79217340
N-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide
CID 107948816
N-(2-amino-2-phenylethyl)-2,5-dibromobenzamide
CID 114374319

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-3-bromo-4-fluorobenzamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-3-bromo-4-fluorobenzamide (CID 103806531) is N-(2-amino-2-phenylethyl)-3-bromo-4-fluorobenzamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-3-bromo-4-fluorobenzamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-3-bromo-4-fluorobenzamide is NC(CNC(=O)c1ccc(F)c(Br)c1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-3-bromo-4-fluorobenzamide?
The InChIKey is FNQJVSVBLHHTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c16-12-8-11(6-7-13(12)17)15(20)19-9-14(18)10-4-2-1-3-5-10/h1-8,14H,9,18H2,(H,19,20).
What are the key properties of N-(2-amino-2-phenylethyl)-3-bromo-4-fluorobenzamide?
N-(2-amino-2-phenylethyl)-3-bromo-4-fluorobenzamide has a molecular weight of 337.19 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-3-bromo-4-fluorobenzamide is sourced from PubChem (CID 103806531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).