3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide

C14H20BrNO2 — CID 66179359

IUPAC3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
SMILESCC(C)CC(C)(O)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H20BrNO2/c1-10(2)8-14(3,18)9-16-13(17)11-5-4-6-12(15)7-11/h4-7,10,18H,8-9H2,1-3H3,(H,16,17)
InChIKeyPWFBYIPKSPYCDK-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.98
Rot. Bonds5

About 3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide

3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide (PubChem CID 66179359) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
PubChem CID66179359
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
SMILESCC(C)CC(C)(O)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H20BrNO2/c1-10(2)8-14(3,18)9-16-13(17)11-5-4-6-12(15)7-11/h4-7,10,18H,8-9H2,1-3H3,(H,16,17)
InChIKeyPWFBYIPKSPYCDK-UHFFFAOYSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66168403
5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide
CID 66180153
N-(2-hydroxy-2,4-dimethylpentyl)-3-propoxybenzamide
CID 66178761
3-amino-4-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179269
5-bromo-2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 107729906
N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide
CID 115267254
3-bromo-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide
CID 90605052
3-bromo-N-(2-bromo-2,2-difluoroethyl)benzamide
CID 130552052
3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772540
3-(3-bromophenoxy)-N-(2-hydroxy-2,4-dimethylpentyl)propanamide
CID 66178943
3-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzamide
CID 113434323
4-chloro-3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 107989597

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide?
The IUPAC name of 3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide (CID 66179359) is 3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide.
What is the SMILES notation for 3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide?
The canonical SMILES for 3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide is CC(C)CC(C)(O)CNC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide?
The InChIKey is PWFBYIPKSPYCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-10(2)8-14(3,18)9-16-13(17)11-5-4-6-12(15)7-11/h4-7,10,18H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide?
3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide has a molecular weight of 314.22 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide is sourced from PubChem (CID 66179359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).