3-bromo-2-chloro-N-(2-hydroxy-2-methylpentyl)benzamide

C13H17BrClNO2 — CID 113363841

IUPAC3-bromo-2-chloro-N-(2-hydroxy-2-methylpentyl)benzamide
SMILESCCCC(C)(O)CNC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C13H17BrClNO2/c1-3-7-13(2,18)8-16-12(17)9-5-4-6-10(14)11(9)15/h4-6,18H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyDBRNHIFCOLZJAI-UHFFFAOYSA-N
MW334.64 g/mol
LogP3.38
Rot. Bonds5

About 3-bromo-2-chloro-N-(2-hydroxy-2-methylpentyl)benzamide

3-bromo-2-chloro-N-(2-hydroxy-2-methylpentyl)benzamide (PubChem CID 113363841) has the molecular formula C13H17BrClNO2 and a molecular weight of 334.64 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(2-hydroxy-2-methylpentyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(2-hydroxy-2-methylpentyl)benzamide
PubChem CID113363841
Molecular FormulaC13H17BrClNO2
Molecular Weight334.64 g/mol
Exact Mass333.01
IUPAC Name3-bromo-2-chloro-N-(2-hydroxy-2-methylpentyl)benzamide
SMILESCCCC(C)(O)CNC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C13H17BrClNO2/c1-3-7-13(2,18)8-16-12(17)9-5-4-6-10(14)11(9)15/h4-6,18H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyDBRNHIFCOLZJAI-UHFFFAOYSA-N
XLogP3.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-chloro-N-(2,2-dimethylbutyl)benzamide
CID 103461936
3-bromo-2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103992187
N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 113240365
2,3-dichloro-N-[(2S)-2-hydroxy-2-methylbutyl]benzamide
CID 95776247
3-bromo-2-chloro-N-hexylbenzamide
CID 103975214
2-ethylsulfonyl-N-(2-hydroxy-2-methylpentyl)benzamide
CID 103713016
3-bromo-2-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
CID 113363834
5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 103842862
3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide
CID 103993764
(E)-3-(2-bromophenyl)-N-(2-hydroxy-2-methylpentyl)prop-2-enamide
CID 103713244
2-[(3-bromo-2-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 113402877
(2S)-3-[(3-bromo-2-chlorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107833301

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(2-hydroxy-2-methylpentyl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(2-hydroxy-2-methylpentyl)benzamide (CID 113363841) is 3-bromo-2-chloro-N-(2-hydroxy-2-methylpentyl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(2-hydroxy-2-methylpentyl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(2-hydroxy-2-methylpentyl)benzamide is CCCC(C)(O)CNC(=O)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(2-hydroxy-2-methylpentyl)benzamide?
The InChIKey is DBRNHIFCOLZJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2/c1-3-7-13(2,18)8-16-12(17)9-5-4-6-10(14)11(9)15/h4-6,18H,3,7-8H2,1-2H3,(H,16,17).
What are the key properties of 3-bromo-2-chloro-N-(2-hydroxy-2-methylpentyl)benzamide?
3-bromo-2-chloro-N-(2-hydroxy-2-methylpentyl)benzamide has a molecular weight of 334.64 g/mol, XLogP of 3.38, 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-(2-hydroxy-2-methylpentyl)benzamide is sourced from PubChem (CID 113363841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).