3-bromo-N-butyl-2-chloro-N-(2-hydroxyethyl)benzamide

C13H17BrClNO2 — CID 113365401

IUPAC3-bromo-N-butyl-2-chloro-N-(2-hydroxyethyl)benzamide
SMILESCCCCN(CCO)C(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C13H17BrClNO2/c1-2-3-7-16(8-9-17)13(18)10-5-4-6-11(14)12(10)15/h4-6,17H,2-3,7-9H2,1H3
InChIKeyYEQHRINZEAODNN-UHFFFAOYSA-N
MW334.64 g/mol
LogP3.34
Rot. Bonds6

About 3-bromo-N-butyl-2-chloro-N-(2-hydroxyethyl)benzamide

3-bromo-N-butyl-2-chloro-N-(2-hydroxyethyl)benzamide (PubChem CID 113365401) has the molecular formula C13H17BrClNO2 and a molecular weight of 334.64 g/mol. Its IUPAC name is 3-bromo-N-butyl-2-chloro-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-butyl-2-chloro-N-(2-hydroxyethyl)benzamide
PubChem CID113365401
Molecular FormulaC13H17BrClNO2
Molecular Weight334.64 g/mol
Exact Mass333.01
IUPAC Name3-bromo-N-butyl-2-chloro-N-(2-hydroxyethyl)benzamide
SMILESCCCCN(CCO)C(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C13H17BrClNO2/c1-2-3-7-16(8-9-17)13(18)10-5-4-6-11(14)12(10)15/h4-6,17H,2-3,7-9H2,1H3
InChIKeyYEQHRINZEAODNN-UHFFFAOYSA-N
XLogP3.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-chloro-N,N-diethylbenzamide
CID 103975185
2-bromo-N,N-dibutylbenzamide
CID 2843235
2-bromo-N-hexyl-N-(2-hydroxyethyl)-3-methylbenzamide
CID 103853368
2-bromo-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 88634155
N-butyl-2-chloro-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 60742751
N-butyl-3-chloro-N-(2-hydroxyethyl)-2-nitrobenzamide
CID 115541108
2-bromo-N-butyl-N-ethylbenzamide
CID 2164030
3-bromo-2-chloro-N,N-bis(2-cyanoethyl)benzamide
CID 113362626
4-bromo-N-butyl-3-chloro-N-(2-hydroxyethyl)benzamide
CID 81295569
3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103853206
3-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzamide
CID 112575679
2-bromo-6-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide
CID 114559534

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-butyl-2-chloro-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-bromo-N-butyl-2-chloro-N-(2-hydroxyethyl)benzamide (CID 113365401) is 3-bromo-N-butyl-2-chloro-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-bromo-N-butyl-2-chloro-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-bromo-N-butyl-2-chloro-N-(2-hydroxyethyl)benzamide is CCCCN(CCO)C(=O)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-N-butyl-2-chloro-N-(2-hydroxyethyl)benzamide?
The InChIKey is YEQHRINZEAODNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2/c1-2-3-7-16(8-9-17)13(18)10-5-4-6-11(14)12(10)15/h4-6,17H,2-3,7-9H2,1H3.
What are the key properties of 3-bromo-N-butyl-2-chloro-N-(2-hydroxyethyl)benzamide?
3-bromo-N-butyl-2-chloro-N-(2-hydroxyethyl)benzamide has a molecular weight of 334.64 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-butyl-2-chloro-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 113365401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).