3-bromo-4-methoxy-N-[(4-methyloxan-4-yl)methyl]benzamide

C15H20BrNO3 — CID 103742483

IUPAC3-bromo-4-methoxy-N-[(4-methyloxan-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2(C)CCOCC2)cc1Br
InChIInChI=1S/C15H20BrNO3/c1-15(5-7-20-8-6-15)10-17-14(18)11-3-4-13(19-2)12(16)9-11/h3-4,9H,5-8,10H2,1-2H3,(H,17,18)
InChIKeyCBYHEDSTWCGPFW-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.00
Rot. Bonds4

About 3-bromo-4-methoxy-N-[(4-methyloxan-4-yl)methyl]benzamide

3-bromo-4-methoxy-N-[(4-methyloxan-4-yl)methyl]benzamide (PubChem CID 103742483) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-[(4-methyloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-[(4-methyloxan-4-yl)methyl]benzamide
PubChem CID103742483
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name3-bromo-4-methoxy-N-[(4-methyloxan-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2(C)CCOCC2)cc1Br
InChIInChI=1S/C15H20BrNO3/c1-15(5-7-20-8-6-15)10-17-14(18)11-3-4-13(19-2)12(16)9-11/h3-4,9H,5-8,10H2,1-2H3,(H,17,18)
InChIKeyCBYHEDSTWCGPFW-UHFFFAOYSA-N
XLogP3.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-4-methoxy-N-[(4-methyloxan-4-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-3-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103873712
3-bromo-N-[(1-ethylcyclobutyl)methyl]-4-methoxybenzamide
CID 103741367
3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 103800054
N-[(1-aminocyclohexyl)methyl]-3-bromo-4-methoxybenzamide;hydrochloride
CID 119404702
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-bromo-4-methoxy-N-(1-methylcyclobutyl)benzamide
CID 115766099
3-hydroxy-4-methoxy-N-[(1-methylcyclobutyl)methyl]benzamide
CID 103738245
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449461
3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide
CID 81472478
5-bromo-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide
CID 113252985
3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415100

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-[(4-methyloxan-4-yl)methyl]benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-[(4-methyloxan-4-yl)methyl]benzamide (CID 103742483) is 3-bromo-4-methoxy-N-[(4-methyloxan-4-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-[(4-methyloxan-4-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-[(4-methyloxan-4-yl)methyl]benzamide is COc1ccc(C(=O)NCC2(C)CCOCC2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-[(4-methyloxan-4-yl)methyl]benzamide?
The InChIKey is CBYHEDSTWCGPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-15(5-7-20-8-6-15)10-17-14(18)11-3-4-13(19-2)12(16)9-11/h3-4,9H,5-8,10H2,1-2H3,(H,17,18).
What are the key properties of 3-bromo-4-methoxy-N-[(4-methyloxan-4-yl)methyl]benzamide?
3-bromo-4-methoxy-N-[(4-methyloxan-4-yl)methyl]benzamide has a molecular weight of 342.23 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-[(4-methyloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 103742483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).