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

C13H17BrClNO2 — CID 81295569

IUPAC4-bromo-N-butyl-3-chloro-N-(2-hydroxyethyl)benzamide
SMILESCCCCN(CCO)C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H17BrClNO2/c1-2-3-6-16(7-8-17)13(18)10-4-5-11(14)12(15)9-10/h4-5,9,17H,2-3,6-8H2,1H3
InChIKeyDSLCLDCFJRLTGF-UHFFFAOYSA-N
MW334.64 g/mol
LogP3.34
Rot. Bonds6

About 4-bromo-N-butyl-3-chloro-N-(2-hydroxyethyl)benzamide

4-bromo-N-butyl-3-chloro-N-(2-hydroxyethyl)benzamide (PubChem CID 81295569) has the molecular formula C13H17BrClNO2 and a molecular weight of 334.64 g/mol. Its IUPAC name is 4-bromo-N-butyl-3-chloro-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-butyl-3-chloro-N-(2-hydroxyethyl)benzamide
PubChem CID81295569
Molecular FormulaC13H17BrClNO2
Molecular Weight334.64 g/mol
Exact Mass333.01
IUPAC Name4-bromo-N-butyl-3-chloro-N-(2-hydroxyethyl)benzamide
SMILESCCCCN(CCO)C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H17BrClNO2/c1-2-3-6-16(7-8-17)13(18)10-4-5-11(14)12(15)9-10/h4-5,9,17H,2-3,6-8H2,1H3
InChIKeyDSLCLDCFJRLTGF-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-N-butyl-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103853206
4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115902316
4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 81308078
3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 103849938
4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide
CID 112706331
4-bromo-N-(2-bromoethyl)-3-chloro-N-ethylbenzamide
CID 81308136
4-bromo-3-chloro-N-(cyanomethyl)-N-propylbenzamide
CID 80973820
3-bromo-N,N-dibutyl-4-fluorobenzamide
CID 103706821
4-amino-3,5-dichloro-N-hexyl-N-(2-hydroxyethyl)benzamide
CID 82812492
N-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide
CID 63213761
4-bromo-3-hydroxy-N,N-bis(2-hydroxyethyl)benzamide
CID 103957673
4-bromo-3-fluoro-N,N-dipentylbenzamide
CID 63524944

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-butyl-3-chloro-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-bromo-N-butyl-3-chloro-N-(2-hydroxyethyl)benzamide (CID 81295569) is 4-bromo-N-butyl-3-chloro-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-bromo-N-butyl-3-chloro-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-bromo-N-butyl-3-chloro-N-(2-hydroxyethyl)benzamide is CCCCN(CCO)C(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-N-butyl-3-chloro-N-(2-hydroxyethyl)benzamide?
The InChIKey is DSLCLDCFJRLTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2/c1-2-3-6-16(7-8-17)13(18)10-4-5-11(14)12(15)9-10/h4-5,9,17H,2-3,6-8H2,1H3.
What are the key properties of 4-bromo-N-butyl-3-chloro-N-(2-hydroxyethyl)benzamide?
4-bromo-N-butyl-3-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 4-bromo-N-butyl-3-chloro-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 81295569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).