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

C13H17BrClNO2 — CID 103853206

IUPAC3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzamide
SMILESCCCCN(CCO)C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H17BrClNO2/c1-2-3-6-16(7-8-17)13(18)10-4-5-12(15)11(14)9-10/h4-5,9,17H,2-3,6-8H2,1H3
InChIKeyFXRWQIAMUMSPGY-UHFFFAOYSA-N
MW334.64 g/mol
LogP3.34
Rot. Bonds6

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

3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzamide (PubChem CID 103853206) has the molecular formula C13H17BrClNO2 and a molecular weight of 334.64 g/mol. Its IUPAC name is 3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzamide
PubChem CID103853206
Molecular FormulaC13H17BrClNO2
Molecular Weight334.64 g/mol
Exact Mass333.01
IUPAC Name3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzamide
SMILESCCCCN(CCO)C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H17BrClNO2/c1-2-3-6-16(7-8-17)13(18)10-4-5-12(15)11(14)9-10/h4-5,9,17H,2-3,6-8H2,1H3
InChIKeyFXRWQIAMUMSPGY-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

4-bromo-N-butyl-3-chloro-N-(2-hydroxyethyl)benzamide
CID 81295569
3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 103849938
N-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103844027
3-bromo-N,N-dibutyl-4-fluorobenzamide
CID 103706821
3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide
CID 103841549
N-butyl-4-chloro-N-(2-hydroxyethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 78856093
N-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide
CID 63213761
4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide
CID 112706331
3-bromo-N-butyl-2-chloro-N-(2-hydroxyethyl)benzamide
CID 113365401
3-bromo-4-chloro-N,N-bis(2-methylpropyl)benzamide
CID 107999335
3-bromo-4-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 103842867
N-butyl-N-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63742331

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzamide (CID 103853206) is 3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzamide is CCCCN(CCO)C(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzamide?
The InChIKey is FXRWQIAMUMSPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2/c1-2-3-6-16(7-8-17)13(18)10-4-5-12(15)11(14)9-10/h4-5,9,17H,2-3,6-8H2,1H3.
What are the key properties of 3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzamide?
3-bromo-N-butyl-4-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-4-chloro-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 103853206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).