3-bromo-N-[(2-hydroxyphenyl)methyl]-4-methoxy-N-methylbenzamide

C16H16BrNO3 — CID 60978582

IUPAC3-bromo-N-[(2-hydroxyphenyl)methyl]-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccccc2O)cc1Br
InChIInChI=1S/C16H16BrNO3/c1-18(10-12-5-3-4-6-14(12)19)16(20)11-7-8-15(21-2)13(17)9-11/h3-9,19H,10H2,1-2H3
InChIKeyNTRWYBVPOKZSIG-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.44
Rot. Bonds4

About 3-bromo-N-[(2-hydroxyphenyl)methyl]-4-methoxy-N-methylbenzamide

3-bromo-N-[(2-hydroxyphenyl)methyl]-4-methoxy-N-methylbenzamide (PubChem CID 60978582) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 3-bromo-N-[(2-hydroxyphenyl)methyl]-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[(2-hydroxyphenyl)methyl]-4-methoxy-N-methylbenzamide
PubChem CID60978582
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name3-bromo-N-[(2-hydroxyphenyl)methyl]-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccccc2O)cc1Br
InChIInChI=1S/C16H16BrNO3/c1-18(10-12-5-3-4-6-14(12)19)16(20)11-7-8-15(21-2)13(17)9-11/h3-9,19H,10H2,1-2H3
InChIKeyNTRWYBVPOKZSIG-UHFFFAOYSA-N
XLogP3.44
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47230441
3-bromo-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 60737430
N-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide
CID 47210346
N-[(2-bromophenyl)methyl]-3,4-dihydroxy-N-methylbenzamide
CID 103955411
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-bromo-4-methoxybenzoate
CID 18776539
4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 17412285
3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 43574048
3-bromo-N-[(2-bromophenyl)methyl]-N,4-dimethylbenzamide
CID 81472236
3-bromo-N-(3-hydroxybutyl)-4-methoxy-N-methylbenzamide
CID 113254689
3-ethoxy-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028026
3-bromo-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 103706385
3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
CID 60963333

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-hydroxyphenyl)methyl]-4-methoxy-N-methylbenzamide?
The IUPAC name of 3-bromo-N-[(2-hydroxyphenyl)methyl]-4-methoxy-N-methylbenzamide (CID 60978582) is 3-bromo-N-[(2-hydroxyphenyl)methyl]-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[(2-hydroxyphenyl)methyl]-4-methoxy-N-methylbenzamide?
The canonical SMILES for 3-bromo-N-[(2-hydroxyphenyl)methyl]-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)Cc2ccccc2O)cc1Br.
What is the InChIKey of 3-bromo-N-[(2-hydroxyphenyl)methyl]-4-methoxy-N-methylbenzamide?
The InChIKey is NTRWYBVPOKZSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-18(10-12-5-3-4-6-14(12)19)16(20)11-7-8-15(21-2)13(17)9-11/h3-9,19H,10H2,1-2H3.
What are the key properties of 3-bromo-N-[(2-hydroxyphenyl)methyl]-4-methoxy-N-methylbenzamide?
3-bromo-N-[(2-hydroxyphenyl)methyl]-4-methoxy-N-methylbenzamide has a molecular weight of 350.21 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-hydroxyphenyl)methyl]-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 60978582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).