N-[(3-bromophenyl)methyl]-2-(4-hydroxyphenyl)-N-methylacetamide

C16H16BrNO2 — CID 61416728

IUPACN-[(3-bromophenyl)methyl]-2-(4-hydroxyphenyl)-N-methylacetamide
SMILESCN(Cc1cccc(Br)c1)C(=O)Cc1ccc(O)cc1
InChIInChI=1S/C16H16BrNO2/c1-18(11-13-3-2-4-14(17)9-13)16(20)10-12-5-7-15(19)8-6-12/h2-9,19H,10-11H2,1H3
InChIKeyMDGYXOJFESZEBS-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.36
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-2-(4-hydroxyphenyl)-N-methylacetamide

N-[(3-bromophenyl)methyl]-2-(4-hydroxyphenyl)-N-methylacetamide (PubChem CID 61416728) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-(4-hydroxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-(4-hydroxyphenyl)-N-methylacetamide
PubChem CID61416728
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC NameN-[(3-bromophenyl)methyl]-2-(4-hydroxyphenyl)-N-methylacetamide
SMILESCN(Cc1cccc(Br)c1)C(=O)Cc1ccc(O)cc1
InChIInChI=1S/C16H16BrNO2/c1-18(11-13-3-2-4-14(17)9-13)16(20)10-12-5-7-15(19)8-6-12/h2-9,19H,10-11H2,1H3
InChIKeyMDGYXOJFESZEBS-UHFFFAOYSA-N
XLogP3.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide
CID 62690187
3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47180891
methyl 4-[(3-bromophenyl)methyl-methylamino]-4-oxobutanoate
CID 94721985
N-[(3-bromophenyl)methyl]-N-methyloctanamide
CID 63531668
N-[(3-bromophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 61041591
2-(3-hydroxyphenyl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 61399859
2-(3-bromophenyl)-N-(2-bromopropyl)-N-methylacetamide
CID 80665086
5-[(3-bromophenyl)methyl-methylamino]-3-methyl-5-oxopentanoic acid
CID 55155222
2-(3-bromophenyl)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107735949
3-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 112792574
3-[(3-bromophenyl)methyl-methylamino]prop-2-enoic acid
CID 79896324
N-[(3-bromophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63849991

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-(4-hydroxyphenyl)-N-methylacetamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-(4-hydroxyphenyl)-N-methylacetamide (CID 61416728) is N-[(3-bromophenyl)methyl]-2-(4-hydroxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-(4-hydroxyphenyl)-N-methylacetamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-(4-hydroxyphenyl)-N-methylacetamide is CN(Cc1cccc(Br)c1)C(=O)Cc1ccc(O)cc1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-(4-hydroxyphenyl)-N-methylacetamide?
The InChIKey is MDGYXOJFESZEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-18(11-13-3-2-4-14(17)9-13)16(20)10-12-5-7-15(19)8-6-12/h2-9,19H,10-11H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-2-(4-hydroxyphenyl)-N-methylacetamide?
N-[(3-bromophenyl)methyl]-2-(4-hydroxyphenyl)-N-methylacetamide has a molecular weight of 334.21 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-(4-hydroxyphenyl)-N-methylacetamide is sourced from PubChem (CID 61416728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).