N-[4-[acetyl(methyl)amino]phenyl]-2-bromo-5-fluorobenzamide

C16H14BrFN2O2 — CID 51127237

IUPACN-[4-[acetyl(methyl)amino]phenyl]-2-bromo-5-fluorobenzamide
SMILESCC(=O)N(C)c1ccc(NC(=O)c2cc(F)ccc2Br)cc1
InChIInChI=1S/C16H14BrFN2O2/c1-10(21)20(2)13-6-4-12(5-7-13)19-16(22)14-9-11(18)3-8-15(14)17/h3-9H,1-2H3,(H,19,22)
InChIKeyMXMPXDLDKHOFKD-UHFFFAOYSA-N
MW365.20 g/mol
LogP3.82
Rot. Bonds3

About N-[4-[acetyl(methyl)amino]phenyl]-2-bromo-5-fluorobenzamide

N-[4-[acetyl(methyl)amino]phenyl]-2-bromo-5-fluorobenzamide (PubChem CID 51127237) has the molecular formula C16H14BrFN2O2 and a molecular weight of 365.20 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-2-bromo-5-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-2-bromo-5-fluorobenzamide
PubChem CID51127237
Molecular FormulaC16H14BrFN2O2
Molecular Weight365.20 g/mol
Exact Mass364.02
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-2-bromo-5-fluorobenzamide
SMILESCC(=O)N(C)c1ccc(NC(=O)c2cc(F)ccc2Br)cc1
InChIInChI=1S/C16H14BrFN2O2/c1-10(21)20(2)13-6-4-12(5-7-13)19-16(22)14-9-11(18)3-8-15(14)17/h3-9H,1-2H3,(H,19,22)
InChIKeyMXMPXDLDKHOFKD-UHFFFAOYSA-N
XLogP3.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-fluoro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 26369634
2-bromo-5-fluoro-N-pyridin-4-ylbenzamide
CID 24689645
2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide
CID 9035116
4-[(2-bromo-5-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43102869
2-bromo-5-fluoro-N',N'-dimethylbenzohydrazide
CID 9180913
N-(3-amino-4-fluorophenyl)-2-bromo-5-fluorobenzamide
CID 16777839
1-(2-bromo-5-fluorophenyl)ethanone
CID 22736080
2-bromo-N-(4-chloro-3-hydroxyphenyl)-5-fluorobenzamide
CID 64789249
N-[4-[(2,4-difluorophenyl)carbamothioylamino]phenyl]-N-methylacetamide
CID 19649158
methyl 2-[[4-[(2-bromo-5-fluorobenzoyl)amino]benzoyl]amino]acetate
CID 46611840
N-(3-amino-4-chlorophenyl)-2-bromo-5-fluorobenzamide
CID 16777113
3-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzamide
CID 106543999

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-bromo-5-fluorobenzamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-bromo-5-fluorobenzamide (CID 51127237) is N-[4-[acetyl(methyl)amino]phenyl]-2-bromo-5-fluorobenzamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-2-bromo-5-fluorobenzamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-2-bromo-5-fluorobenzamide is CC(=O)N(C)c1ccc(NC(=O)c2cc(F)ccc2Br)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-2-bromo-5-fluorobenzamide?
The InChIKey is MXMPXDLDKHOFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O2/c1-10(21)20(2)13-6-4-12(5-7-13)19-16(22)14-9-11(18)3-8-15(14)17/h3-9H,1-2H3,(H,19,22).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-2-bromo-5-fluorobenzamide?
N-[4-[acetyl(methyl)amino]phenyl]-2-bromo-5-fluorobenzamide has a molecular weight of 365.20 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-2-bromo-5-fluorobenzamide is sourced from PubChem (CID 51127237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).