N-[2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-fluorobenzamide

C17H15BrF2N2O2 — CID 78852071

IUPACN-[2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-fluorobenzamide
SMILESCN(Cc1cc(Br)ccc1F)C(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C17H15BrF2N2O2/c1-22(10-12-7-13(18)5-6-15(12)20)16(23)9-21-17(24)11-3-2-4-14(19)8-11/h2-8H,9-10H2,1H3,(H,21,24)
InChIKeyVJWNMUORYDKPEK-UHFFFAOYSA-N
MW397.22 g/mol
LogP3.12
Rot. Bonds5

About N-[2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-fluorobenzamide

N-[2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-fluorobenzamide (PubChem CID 78852071) has the molecular formula C17H15BrF2N2O2 and a molecular weight of 397.22 g/mol. Its IUPAC name is N-[2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-fluorobenzamide
PubChem CID78852071
Molecular FormulaC17H15BrF2N2O2
Molecular Weight397.22 g/mol
Exact Mass396.03
IUPAC NameN-[2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-fluorobenzamide
SMILESCN(Cc1cc(Br)ccc1F)C(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C17H15BrF2N2O2/c1-22(10-12-7-13(18)5-6-15(12)20)16(23)9-21-17(24)11-3-2-4-14(19)8-11/h2-8H,9-10H2,1H3,(H,21,24)
InChIKeyVJWNMUORYDKPEK-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.22
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 30905036
3-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide
CID 79380984
N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 24544434
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-3-chlorobenzamide
CID 31215623
N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 17438069
2,4-difluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 51192378
3-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide
CID 107202420
3-bromo-N-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 26619302
3-fluoro-N-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-oxoethyl]benzamide
CID 78839008
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119312630
3-bromo-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]benzamide
CID 52599948
N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 31138692

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-fluorobenzamide (CID 78852071) is N-[2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-fluorobenzamide is CN(Cc1cc(Br)ccc1F)C(=O)CNC(=O)c1cccc(F)c1.
What is the InChIKey of N-[2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-fluorobenzamide?
The InChIKey is VJWNMUORYDKPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF2N2O2/c1-22(10-12-7-13(18)5-6-15(12)20)16(23)9-21-17(24)11-3-2-4-14(19)8-11/h2-8H,9-10H2,1H3,(H,21,24).
What are the key properties of N-[2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-fluorobenzamide?
N-[2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-fluorobenzamide has a molecular weight of 397.22 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-fluorobenzamide is sourced from PubChem (CID 78852071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).