5-bromo-2-fluoro-N-[2-(methylamino)propyl]benzamide

C11H14BrFN2O — CID 120827060

IUPAC5-bromo-2-fluoro-N-[2-(methylamino)propyl]benzamide
SMILESCNC(C)CNC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C11H14BrFN2O/c1-7(14-2)6-15-11(16)9-5-8(12)3-4-10(9)13/h3-5,7,14H,6H2,1-2H3,(H,15,16)
InChIKeyWGDDOZKRLROOQV-UHFFFAOYSA-N
MW289.15 g/mol
LogP1.93
Rot. Bonds4

About 5-bromo-2-fluoro-N-[2-(methylamino)propyl]benzamide

5-bromo-2-fluoro-N-[2-(methylamino)propyl]benzamide (PubChem CID 120827060) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-[2-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-[2-(methylamino)propyl]benzamide
PubChem CID120827060
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC Name5-bromo-2-fluoro-N-[2-(methylamino)propyl]benzamide
SMILESCNC(C)CNC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C11H14BrFN2O/c1-7(14-2)6-15-11(16)9-5-8(12)3-4-10(9)13/h3-5,7,14H,6H2,1-2H3,(H,15,16)
InChIKeyWGDDOZKRLROOQV-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-bromo-2-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 62677096
5-bromo-N-(2,3-dimethylbutyl)-2-fluorobenzamide
CID 64597105
5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829917
5-bromo-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102698343
5-bromo-N-(2,3-dihydroxypropyl)-2-fluorobenzamide
CID 66175364
5-bromo-2-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 104593777
5-bromo-2-fluoro-N-(7-methyloctyl)benzamide
CID 63525308
2,3,4-trifluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120827825
5-bromo-2-fluoro-N-pentan-2-ylbenzamide
CID 24700042
2,4-difluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832356
4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide
CID 120650065
4,5-difluoro-2-iodo-N-[2-(methylamino)propyl]benzamide
CID 120827537

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-[2-(methylamino)propyl]benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-[2-(methylamino)propyl]benzamide (CID 120827060) is 5-bromo-2-fluoro-N-[2-(methylamino)propyl]benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-[2-(methylamino)propyl]benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-[2-(methylamino)propyl]benzamide is CNC(C)CNC(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-[2-(methylamino)propyl]benzamide?
The InChIKey is WGDDOZKRLROOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-7(14-2)6-15-11(16)9-5-8(12)3-4-10(9)13/h3-5,7,14H,6H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-2-fluoro-N-[2-(methylamino)propyl]benzamide?
5-bromo-2-fluoro-N-[2-(methylamino)propyl]benzamide has a molecular weight of 289.15 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-[2-(methylamino)propyl]benzamide is sourced from PubChem (CID 120827060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).