3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide

C14H19BrClNO2 — CID 103827221

IUPAC3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide
SMILESCCC(CC)C(O)CNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H19BrClNO2/c1-3-9(4-2)13(18)8-17-14(19)10-5-11(15)7-12(16)6-10/h5-7,9,13,18H,3-4,8H2,1-2H3,(H,17,19)
InChIKeyUAUPKXYZWXFYNQ-UHFFFAOYSA-N
MW348.67 g/mol
LogP3.63
Rot. Bonds6

About 3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide

3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide (PubChem CID 103827221) has the molecular formula C14H19BrClNO2 and a molecular weight of 348.67 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide
PubChem CID103827221
Molecular FormulaC14H19BrClNO2
Molecular Weight348.67 g/mol
Exact Mass347.03
IUPAC Name3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide
SMILESCCC(CC)C(O)CNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H19BrClNO2/c1-3-9(4-2)13(18)8-17-14(19)10-5-11(15)7-12(16)6-10/h5-7,9,13,18H,3-4,8H2,1-2H3,(H,17,19)
InChIKeyUAUPKXYZWXFYNQ-UHFFFAOYSA-N
XLogP3.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.67
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
CID 103884654
2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]butanoic acid
CID 107938080
3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide
CID 107952489
3-bromo-5-chloro-N-[2-(diethylamino)propyl]benzamide
CID 110620419
3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 103826959
3,5-dibromo-N-(2-hydroxy-3-methylbutyl)benzamide
CID 113349811
3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 107940200
3-bromo-5-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 107941141
3-bromo-5-chloro-N-(2-phenylpropyl)benzamide
CID 107951717
5-[(3-bromo-5-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 107938301
2-chloro-N-(3-ethyl-2-hydroxypentyl)-6-(methylamino)pyridine-4-carboxamide
CID 111115777
3,5-dibromo-N-(2-chlorobutyl)benzamide
CID 107975285

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide (CID 103827221) is 3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide is CCC(CC)C(O)CNC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide?
The InChIKey is UAUPKXYZWXFYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO2/c1-3-9(4-2)13(18)8-17-14(19)10-5-11(15)7-12(16)6-10/h5-7,9,13,18H,3-4,8H2,1-2H3,(H,17,19).
What are the key properties of 3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide?
3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide has a molecular weight of 348.67 g/mol, XLogP of 3.63, 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-(3-ethyl-2-hydroxypentyl)benzamide is sourced from PubChem (CID 103827221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).