3-bromo-5-fluoro-N-(3-hydroxypentyl)benzamide

C12H15BrFNO2 — CID 113259409

IUPAC3-bromo-5-fluoro-N-(3-hydroxypentyl)benzamide
SMILESCCC(O)CCNC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C12H15BrFNO2/c1-2-11(16)3-4-15-12(17)8-5-9(13)7-10(14)6-8/h5-7,11,16H,2-4H2,1H3,(H,15,17)
InChIKeyXWOFGHLDGKQTKJ-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.48
Rot. Bonds5

About 3-bromo-5-fluoro-N-(3-hydroxypentyl)benzamide

3-bromo-5-fluoro-N-(3-hydroxypentyl)benzamide (PubChem CID 113259409) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-(3-hydroxypentyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-(3-hydroxypentyl)benzamide
PubChem CID113259409
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name3-bromo-5-fluoro-N-(3-hydroxypentyl)benzamide
SMILESCCC(O)CCNC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C12H15BrFNO2/c1-2-11(16)3-4-15-12(17)8-5-9(13)7-10(14)6-8/h5-7,11,16H,2-4H2,1H3,(H,15,17)
InChIKeyXWOFGHLDGKQTKJ-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminobutyl)-3-bromo-5-fluorobenzamide
CID 63731163
3-bromo-N-(3,3-difluoro-2-hydroxypropyl)-5-fluorobenzamide
CID 103770519
3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 115659969
N-(3-hydroxypentyl)-3,4,5-trimethoxybenzamide
CID 115703422
3-bromo-5-fluoro-N-pent-4-ynylbenzamide
CID 103708770
2,6-difluoro-N-(3-hydroxypentyl)benzamide
CID 115703804
3-bromo-N-(3-hydroxybutyl)-5-methylbenzamide
CID 104852776
2-[2-[(3-bromo-5-fluorobenzoyl)amino]ethylsulfanyl]acetic acid
CID 119242061
4-[(3,5-difluorobenzoyl)amino]-2-methylbutanoic acid
CID 80538601
4-N-(3-hydroxypentyl)benzene-1,4-dicarboxamide
CID 115703395
3-bromo-N-[3-(cyclopropylamino)propyl]-5-fluorobenzamide
CID 43596337
2-chloro-N-(3-hydroxypentyl)-6-methylpyridine-4-carboxamide
CID 113497559

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-(3-hydroxypentyl)benzamide?
The IUPAC name of 3-bromo-5-fluoro-N-(3-hydroxypentyl)benzamide (CID 113259409) is 3-bromo-5-fluoro-N-(3-hydroxypentyl)benzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-(3-hydroxypentyl)benzamide?
The canonical SMILES for 3-bromo-5-fluoro-N-(3-hydroxypentyl)benzamide is CCC(O)CCNC(=O)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-5-fluoro-N-(3-hydroxypentyl)benzamide?
The InChIKey is XWOFGHLDGKQTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-2-11(16)3-4-15-12(17)8-5-9(13)7-10(14)6-8/h5-7,11,16H,2-4H2,1H3,(H,15,17).
What are the key properties of 3-bromo-5-fluoro-N-(3-hydroxypentyl)benzamide?
3-bromo-5-fluoro-N-(3-hydroxypentyl)benzamide has a molecular weight of 304.16 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-(3-hydroxypentyl)benzamide is sourced from PubChem (CID 113259409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).