3-bromo-2-chloro-N-(4-hydroxybutyl)benzamide

C11H13BrClNO2 — CID 106842310

IUPAC3-bromo-2-chloro-N-(4-hydroxybutyl)benzamide
SMILESO=C(NCCCCO)c1cccc(Br)c1Cl
InChIInChI=1S/C11H13BrClNO2/c12-9-5-3-4-8(10(9)13)11(16)14-6-1-2-7-15/h3-5,15H,1-2,6-7H2,(H,14,16)
InChIKeyPCNQXCDKSCDWJY-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.60
Rot. Bonds5

About 3-bromo-2-chloro-N-(4-hydroxybutyl)benzamide

3-bromo-2-chloro-N-(4-hydroxybutyl)benzamide (PubChem CID 106842310) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(4-hydroxybutyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(4-hydroxybutyl)benzamide
PubChem CID106842310
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name3-bromo-2-chloro-N-(4-hydroxybutyl)benzamide
SMILESO=C(NCCCCO)c1cccc(Br)c1Cl
InChIInChI=1S/C11H13BrClNO2/c12-9-5-3-4-8(10(9)13)11(16)14-6-1-2-7-15/h3-5,15H,1-2,6-7H2,(H,14,16)
InChIKeyPCNQXCDKSCDWJY-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 52.60
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

3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide
CID 103993764
3-bromo-2-chloro-N-hexylbenzamide
CID 103975214
3-amino-2-bromo-N-(5-hydroxypentyl)benzamide
CID 107316301
2-bromo-3-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317884
4-[(3-bromo-2-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006274
2-bromo-4-chloro-N-(5-hydroxypentyl)benzamide
CID 107342949
3-bromo-2-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 103979113
3-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]benzamide
CID 103989302
3-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 103977019
N-(5-bromopentyl)-2,3-dichlorobenzamide
CID 107321695
2-chloro-N-(3-hydroxypropyl)-3-nitrobenzamide
CID 112576310
3-bromo-2-chloro-N-(2,2-dimethylbutyl)benzamide
CID 103461936

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(4-hydroxybutyl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(4-hydroxybutyl)benzamide (CID 106842310) is 3-bromo-2-chloro-N-(4-hydroxybutyl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(4-hydroxybutyl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(4-hydroxybutyl)benzamide is O=C(NCCCCO)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(4-hydroxybutyl)benzamide?
The InChIKey is PCNQXCDKSCDWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c12-9-5-3-4-8(10(9)13)11(16)14-6-1-2-7-15/h3-5,15H,1-2,6-7H2,(H,14,16).
What are the key properties of 3-bromo-2-chloro-N-(4-hydroxybutyl)benzamide?
3-bromo-2-chloro-N-(4-hydroxybutyl)benzamide has a molecular weight of 306.59 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-(4-hydroxybutyl)benzamide is sourced from PubChem (CID 106842310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).