5-bromo-2-fluoro-N-(2-methoxypropyl)benzamide

C11H13BrFNO2 — CID 102698343

IUPAC5-bromo-2-fluoro-N-(2-methoxypropyl)benzamide
SMILESCOC(C)CNC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C11H13BrFNO2/c1-7(16-2)6-14-11(15)9-5-8(12)3-4-10(9)13/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyFSOGHUHMOBDDPT-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.35
Rot. Bonds4

About 5-bromo-2-fluoro-N-(2-methoxypropyl)benzamide

5-bromo-2-fluoro-N-(2-methoxypropyl)benzamide (PubChem CID 102698343) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(2-methoxypropyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(2-methoxypropyl)benzamide
PubChem CID102698343
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Name5-bromo-2-fluoro-N-(2-methoxypropyl)benzamide
SMILESCOC(C)CNC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C11H13BrFNO2/c1-7(16-2)6-14-11(15)9-5-8(12)3-4-10(9)13/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyFSOGHUHMOBDDPT-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.35
H-Bond Donors ≤ 51
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
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5-bromo-2-fluoro-N-[2-(methylamino)propyl]benzamide
CID 120827060
2-bromo-4-chloro-N-(2-methoxypropyl)benzamide
CID 102737720
5-bromo-N-(2,3-dihydroxypropyl)-2-fluorobenzamide
CID 66175364
4-bromo-N-(2,2-dimethoxyethyl)-2-fluorobenzamide
CID 61247809
5-bromo-2-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 104593777
2,5-dichloro-N-(2-methoxypropyl)benzamide
CID 101005301
4-amino-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102694265
5-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 113219434
4-fluoro-2-hydroxy-N-(2-methoxypropyl)benzamide
CID 102737733
5-bromo-2-fluoro-N-(7-methyloctyl)benzamide
CID 63525308

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(2-methoxypropyl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(2-methoxypropyl)benzamide (CID 102698343) is 5-bromo-2-fluoro-N-(2-methoxypropyl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(2-methoxypropyl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(2-methoxypropyl)benzamide is COC(C)CNC(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-(2-methoxypropyl)benzamide?
The InChIKey is FSOGHUHMOBDDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-7(16-2)6-14-11(15)9-5-8(12)3-4-10(9)13/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-2-fluoro-N-(2-methoxypropyl)benzamide?
5-bromo-2-fluoro-N-(2-methoxypropyl)benzamide has a molecular weight of 290.13 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(2-methoxypropyl)benzamide is sourced from PubChem (CID 102698343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).