3-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzamide

C14H20BrNO2 — CID 113434323

IUPAC3-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzamide
SMILESCOCCC(C)(C)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H20BrNO2/c1-14(2,7-8-18-3)10-16-13(17)11-5-4-6-12(15)9-11/h4-6,9H,7-8,10H2,1-3H3,(H,16,17)
InChIKeyPGKVUDZIBCSEEC-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.24
Rot. Bonds6

About 3-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzamide

3-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzamide (PubChem CID 113434323) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 3-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzamide
PubChem CID113434323
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name3-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzamide
SMILESCOCCC(C)(C)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H20BrNO2/c1-14(2,7-8-18-3)10-16-13(17)11-5-4-6-12(15)9-11/h4-6,9H,7-8,10H2,1-3H3,(H,16,17)
InChIKeyPGKVUDZIBCSEEC-UHFFFAOYSA-N
XLogP3.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772540
N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide
CID 115267254
3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66168403
3-bromo-N-(2-bromo-2,2-difluoroethyl)benzamide
CID 130552052
3-bromo-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide
CID 108539697
tert-butyl N-[1-[(3-bromobenzoyl)amino]-2-methylpropan-2-yl]carbamate
CID 110668964
N-(4-methoxy-2,2-dimethylbutyl)-3,5-dimethylbenzamide
CID 122141755
1-(3-acetylphenyl)-3-(4-methoxy-2,2-dimethylbutyl)urea
CID 104625314
3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179359
3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249245
N-(4-bromo-2,2-dimethylbutyl)-3-chlorobenzamide
CID 106143855
3-amino-N-(2,2-dimethylbutyl)benzamide
CID 103459945

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzamide?
The IUPAC name of 3-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzamide (CID 113434323) is 3-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzamide.
What is the SMILES notation for 3-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzamide?
The canonical SMILES for 3-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzamide is COCCC(C)(C)CNC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzamide?
The InChIKey is PGKVUDZIBCSEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-14(2,7-8-18-3)10-16-13(17)11-5-4-6-12(15)9-11/h4-6,9H,7-8,10H2,1-3H3,(H,16,17).
What are the key properties of 3-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzamide?
3-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzamide has a molecular weight of 314.22 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzamide is sourced from PubChem (CID 113434323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).