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

C12H15BrClNO2 — CID 107342962

IUPAC3-bromo-5-chloro-N-(5-hydroxypentyl)benzamide
SMILESO=C(NCCCCCO)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H15BrClNO2/c13-10-6-9(7-11(14)8-10)12(17)15-4-2-1-3-5-16/h6-8,16H,1-5H2,(H,15,17)
InChIKeyKOVXYMFKKCJQHP-UHFFFAOYSA-N
MW320.61 g/mol
LogP2.99
Rot. Bonds6

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

3-bromo-5-chloro-N-(5-hydroxypentyl)benzamide (PubChem CID 107342962) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(5-hydroxypentyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(5-hydroxypentyl)benzamide
PubChem CID107342962
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC Name3-bromo-5-chloro-N-(5-hydroxypentyl)benzamide
SMILESO=C(NCCCCCO)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H15BrClNO2/c13-10-6-9(7-11(14)8-10)12(17)15-4-2-1-3-5-16/h6-8,16H,1-5H2,(H,15,17)
InChIKeyKOVXYMFKKCJQHP-UHFFFAOYSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide
CID 110609883
3-amino-5-chloro-N-(5-hydroxypentyl)benzamide
CID 107316243
3-bromo-5-chloro-N-hex-5-ynylbenzamide
CID 103827024
3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
CID 107941216
3-amino-5-bromo-N-(4-hydroxybutyl)benzamide
CID 106840118
N-(5-bromopentyl)-3,5-dichlorobenzamide
CID 107322072
3-bromo-N-(6-hydroxyhexyl)-5-nitrobenzamide
CID 103919327
3-bromo-N-(5-hydroxypentyl)benzamide
CID 107317897
2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841536
4-chloro-N-(5-hydroxypentyl)benzamide
CID 107318437
3-bromo-5-chloro-N-(3-phenoxypropyl)benzamide
CID 107952345
2-bromo-4-chloro-N-(5-hydroxypentyl)benzamide
CID 107342949

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(5-hydroxypentyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(5-hydroxypentyl)benzamide (CID 107342962) is 3-bromo-5-chloro-N-(5-hydroxypentyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(5-hydroxypentyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(5-hydroxypentyl)benzamide is O=C(NCCCCCO)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(5-hydroxypentyl)benzamide?
The InChIKey is KOVXYMFKKCJQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2/c13-10-6-9(7-11(14)8-10)12(17)15-4-2-1-3-5-16/h6-8,16H,1-5H2,(H,15,17).
What are the key properties of 3-bromo-5-chloro-N-(5-hydroxypentyl)benzamide?
3-bromo-5-chloro-N-(5-hydroxypentyl)benzamide has a molecular weight of 320.61 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(5-hydroxypentyl)benzamide is sourced from PubChem (CID 107342962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).