2-bromo-N-(2,3-dihydroxypropyl)-4-fluorobenzamide

C10H11BrFNO3 — CID 66175984

IUPAC2-bromo-N-(2,3-dihydroxypropyl)-4-fluorobenzamide
SMILESO=C(NCC(O)CO)c1ccc(F)cc1Br
InChIInChI=1S/C10H11BrFNO3/c11-9-3-6(12)1-2-8(9)10(16)13-4-7(15)5-14/h1-3,7,14-15H,4-5H2,(H,13,16)
InChIKeyXTCMOUVUCBLGOZ-UHFFFAOYSA-N
MW292.10 g/mol
LogP0.67
Rot. Bonds4

About 2-bromo-N-(2,3-dihydroxypropyl)-4-fluorobenzamide

2-bromo-N-(2,3-dihydroxypropyl)-4-fluorobenzamide (PubChem CID 66175984) has the molecular formula C10H11BrFNO3 and a molecular weight of 292.10 g/mol. Its IUPAC name is 2-bromo-N-(2,3-dihydroxypropyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2,3-dihydroxypropyl)-4-fluorobenzamide
PubChem CID66175984
Molecular FormulaC10H11BrFNO3
Molecular Weight292.10 g/mol
Exact Mass290.99
IUPAC Name2-bromo-N-(2,3-dihydroxypropyl)-4-fluorobenzamide
SMILESO=C(NCC(O)CO)c1ccc(F)cc1Br
InChIInChI=1S/C10H11BrFNO3/c11-9-3-6(12)1-2-8(9)10(16)13-4-7(15)5-14/h1-3,7,14-15H,4-5H2,(H,13,16)
InChIKeyXTCMOUVUCBLGOZ-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

2-bromo-4-fluoro-N-(2-methylbutyl)benzamide
CID 62693317
3-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 62675482
2-bromo-4-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 78965919
5-bromo-N-(2,3-dihydroxypropyl)-2-fluorobenzamide
CID 66175364
4-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 81064448
N-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide
CID 107677052
2-[[(2-bromo-4-fluorobenzoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107473735
2-bromo-4-fluorobenzohydrazide
CID 16780865
2-bromo-4-fluoro-N-(3-methylbutyl)benzamide
CID 24700389
2-bromo-4-fluoro-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 60666175
2-bromo-4-fluoro-N-(2-phenylbutyl)benzamide
CID 55391050
5-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzamide
CID 66175370

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,3-dihydroxypropyl)-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-(2,3-dihydroxypropyl)-4-fluorobenzamide (CID 66175984) is 2-bromo-N-(2,3-dihydroxypropyl)-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(2,3-dihydroxypropyl)-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(2,3-dihydroxypropyl)-4-fluorobenzamide is O=C(NCC(O)CO)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-(2,3-dihydroxypropyl)-4-fluorobenzamide?
The InChIKey is XTCMOUVUCBLGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO3/c11-9-3-6(12)1-2-8(9)10(16)13-4-7(15)5-14/h1-3,7,14-15H,4-5H2,(H,13,16).
What are the key properties of 2-bromo-N-(2,3-dihydroxypropyl)-4-fluorobenzamide?
2-bromo-N-(2,3-dihydroxypropyl)-4-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 2-bromo-N-(2,3-dihydroxypropyl)-4-fluorobenzamide is sourced from PubChem (CID 66175984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).