5-bromo-N-(2,3-dihydroxypropyl)-2-fluorobenzamide

C10H11BrFNO3 — CID 66175364

IUPAC5-bromo-N-(2,3-dihydroxypropyl)-2-fluorobenzamide
SMILESO=C(NCC(O)CO)c1cc(Br)ccc1F
InChIInChI=1S/C10H11BrFNO3/c11-6-1-2-9(12)8(3-6)10(16)13-4-7(15)5-14/h1-3,7,14-15H,4-5H2,(H,13,16)
InChIKeySKFMEKMHENTJNR-UHFFFAOYSA-N
MW292.10 g/mol
LogP0.67
Rot. Bonds4

About 5-bromo-N-(2,3-dihydroxypropyl)-2-fluorobenzamide

5-bromo-N-(2,3-dihydroxypropyl)-2-fluorobenzamide (PubChem CID 66175364) has the molecular formula C10H11BrFNO3 and a molecular weight of 292.10 g/mol. Its IUPAC name is 5-bromo-N-(2,3-dihydroxypropyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-(2,3-dihydroxypropyl)-2-fluorobenzamide
PubChem CID66175364
Molecular FormulaC10H11BrFNO3
Molecular Weight292.10 g/mol
Exact Mass290.99
IUPAC Name5-bromo-N-(2,3-dihydroxypropyl)-2-fluorobenzamide
SMILESO=C(NCC(O)CO)c1cc(Br)ccc1F
InChIInChI=1S/C10H11BrFNO3/c11-6-1-2-9(12)8(3-6)10(16)13-4-7(15)5-14/h1-3,7,14-15H,4-5H2,(H,13,16)
InChIKeySKFMEKMHENTJNR-UHFFFAOYSA-N
XLogP0.67
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.10
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzamide
CID 66175370
5-bromo-N-(2,3-dimethylbutyl)-2-fluorobenzamide
CID 64597105
3-[(5-bromo-2-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 62677096
5-bromo-2-fluoro-N-[2-(methylamino)propyl]benzamide
CID 120827060
5-bromo-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102698343
2-bromo-N-(2,3-dihydroxypropyl)-4-fluorobenzamide
CID 66175984
5-bromo-2-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 104593777
N-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide
CID 107677052
N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide
CID 9296512
N-(2,3-dihydroxypropyl)-3,4-difluorobenzamide
CID 66176013
5-bromo-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103919695
N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide
CID 43553754

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3-dihydroxypropyl)-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-(2,3-dihydroxypropyl)-2-fluorobenzamide (CID 66175364) is 5-bromo-N-(2,3-dihydroxypropyl)-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-(2,3-dihydroxypropyl)-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-(2,3-dihydroxypropyl)-2-fluorobenzamide is O=C(NCC(O)CO)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-(2,3-dihydroxypropyl)-2-fluorobenzamide?
The InChIKey is SKFMEKMHENTJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO3/c11-6-1-2-9(12)8(3-6)10(16)13-4-7(15)5-14/h1-3,7,14-15H,4-5H2,(H,13,16).
What are the key properties of 5-bromo-N-(2,3-dihydroxypropyl)-2-fluorobenzamide?
5-bromo-N-(2,3-dihydroxypropyl)-2-fluorobenzamide has a molecular weight of 292.10 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,3-dihydroxypropyl)-2-fluorobenzamide is sourced from PubChem (CID 66175364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).