3,5-dibromo-N-(2-hydroxypentyl)benzamide

C12H15Br2NO2 — CID 103909287

IUPAC3,5-dibromo-N-(2-hydroxypentyl)benzamide
SMILESCCCC(O)CNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H15Br2NO2/c1-2-3-11(16)7-15-12(17)8-4-9(13)6-10(14)5-8/h4-6,11,16H,2-3,7H2,1H3,(H,15,17)
InChIKeyMBWXHZKUPGMWRT-UHFFFAOYSA-N
MW365.07 g/mol
LogP3.10
Rot. Bonds5

About 3,5-dibromo-N-(2-hydroxypentyl)benzamide

3,5-dibromo-N-(2-hydroxypentyl)benzamide (PubChem CID 103909287) has the molecular formula C12H15Br2NO2 and a molecular weight of 365.07 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-hydroxypentyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2-hydroxypentyl)benzamide
PubChem CID103909287
Molecular FormulaC12H15Br2NO2
Molecular Weight365.07 g/mol
Exact Mass362.95
IUPAC Name3,5-dibromo-N-(2-hydroxypentyl)benzamide
SMILESCCCC(O)CNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H15Br2NO2/c1-2-3-11(16)7-15-12(17)8-4-9(13)6-10(14)5-8/h4-6,11,16H,2-3,7H2,1H3,(H,15,17)
InChIKeyMBWXHZKUPGMWRT-UHFFFAOYSA-N
XLogP3.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.07
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-hydroxypentyl)-3,5-dimethoxybenzamide
CID 115700732
3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide
CID 103909431
3,5-dibromo-N-[2-(2-bromoethyl)pentyl]benzamide
CID 114145772
3,5-dibromo-N-(2-hydroxy-3-methylbutyl)benzamide
CID 113349811
4-bromo-2-chloro-N-(2-hydroxypentyl)benzamide
CID 113258679
2-amino-4-bromo-N-(2-hydroxypentyl)benzamide
CID 113495833
3,5-dibromo-N-(2-chlorobutyl)benzamide
CID 107975285
1-(4-bromo-2,6-dimethylphenyl)-3-(2-hydroxypentyl)urea
CID 111431387
5-bromo-N-(2-hydroxypentyl)pyridine-2-carboxamide
CID 115700916
3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
CID 103884654
3-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 104850828
N-(2-hydroxypentyl)-4-(propan-2-yloxymethyl)benzamide
CID 115700661

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-hydroxypentyl)benzamide?
The IUPAC name of 3,5-dibromo-N-(2-hydroxypentyl)benzamide (CID 103909287) is 3,5-dibromo-N-(2-hydroxypentyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(2-hydroxypentyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(2-hydroxypentyl)benzamide is CCCC(O)CNC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(2-hydroxypentyl)benzamide?
The InChIKey is MBWXHZKUPGMWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO2/c1-2-3-11(16)7-15-12(17)8-4-9(13)6-10(14)5-8/h4-6,11,16H,2-3,7H2,1H3,(H,15,17).
What are the key properties of 3,5-dibromo-N-(2-hydroxypentyl)benzamide?
3,5-dibromo-N-(2-hydroxypentyl)benzamide has a molecular weight of 365.07 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2-hydroxypentyl)benzamide is sourced from PubChem (CID 103909287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).