5-bromo-N-methoxy-2,3-dimethyl-4-phenylmethoxybenzamide

C17H18BrNO3 — CID 87130031

IUPAC5-bromo-N-methoxy-2,3-dimethyl-4-phenylmethoxybenzamide
SMILESCONC(=O)c1cc(Br)c(OCc2ccccc2)c(C)c1C
InChIInChI=1S/C17H18BrNO3/c1-11-12(2)16(22-10-13-7-5-4-6-8-13)15(18)9-14(11)17(20)19-21-3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyXOABLTQKYLTDAO-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.94
Rot. Bonds5

About 5-bromo-N-methoxy-2,3-dimethyl-4-phenylmethoxybenzamide

5-bromo-N-methoxy-2,3-dimethyl-4-phenylmethoxybenzamide (PubChem CID 87130031) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is 5-bromo-N-methoxy-2,3-dimethyl-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-methoxy-2,3-dimethyl-4-phenylmethoxybenzamide
PubChem CID87130031
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC Name5-bromo-N-methoxy-2,3-dimethyl-4-phenylmethoxybenzamide
SMILESCONC(=O)c1cc(Br)c(OCc2ccccc2)c(C)c1C
InChIInChI=1S/C17H18BrNO3/c1-11-12(2)16(22-10-13-7-5-4-6-8-13)15(18)9-14(11)17(20)19-21-3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyXOABLTQKYLTDAO-UHFFFAOYSA-N
XLogP3.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromophenyl)methoxy]-N-methoxybenzamide
CID 33104537
2,3,5-trimethyl-4-phenylmethoxybenzoyl chloride
CID 59202337
1-(5-bromo-3-fluoro-2-methyl-6-phenylmethoxyphenyl)ethanone
CID 91197149
2-bromo-5-methyl-N-phenylmethoxybenzamide
CID 80962365
3-bromo-5-methyl-4-phenylmethoxyaniline
CID 142435992
methyl 5-bromo-2,4-bis(phenylmethoxy)-3-(tritert-butylsilyloxymethyl)benzoate
CID 123962491
3-hydroxy-2-methyl-4,5-bis(phenylmethoxy)benzoic acid
CID 175815077
4-methoxycarbonyl-2-methyl-3-phenylmethoxybenzoic acid
CID 90164151
N-methoxy-2-phenylmethoxypyridine-4-carboxamide
CID 47366546
methyl 2-bromo-4-methyl-5-phenylmethoxybenzoate
CID 170744490
methyl 2-amino-6-bromo-5-methyl-3-phenylmethoxypyridine-4-carboxylate
CID 91008132
3-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]-2-methylbenzoic acid
CID 17059056

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methoxy-2,3-dimethyl-4-phenylmethoxybenzamide?
The IUPAC name of 5-bromo-N-methoxy-2,3-dimethyl-4-phenylmethoxybenzamide (CID 87130031) is 5-bromo-N-methoxy-2,3-dimethyl-4-phenylmethoxybenzamide.
What is the SMILES notation for 5-bromo-N-methoxy-2,3-dimethyl-4-phenylmethoxybenzamide?
The canonical SMILES for 5-bromo-N-methoxy-2,3-dimethyl-4-phenylmethoxybenzamide is CONC(=O)c1cc(Br)c(OCc2ccccc2)c(C)c1C.
What is the InChIKey of 5-bromo-N-methoxy-2,3-dimethyl-4-phenylmethoxybenzamide?
The InChIKey is XOABLTQKYLTDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-11-12(2)16(22-10-13-7-5-4-6-8-13)15(18)9-14(11)17(20)19-21-3/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of 5-bromo-N-methoxy-2,3-dimethyl-4-phenylmethoxybenzamide?
5-bromo-N-methoxy-2,3-dimethyl-4-phenylmethoxybenzamide has a molecular weight of 364.24 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methoxy-2,3-dimethyl-4-phenylmethoxybenzamide is sourced from PubChem (CID 87130031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).