5-bromo-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide

C16H16BrNO2 — CID 65309798

IUPAC5-bromo-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
SMILESCc1ccc(Br)cc1C(=O)N(C)Cc1cccc(O)c1
InChIInChI=1S/C16H16BrNO2/c1-11-6-7-13(17)9-15(11)16(20)18(2)10-12-4-3-5-14(19)8-12/h3-9,19H,10H2,1-2H3
InChIKeyXHKPEQNCCZCGMB-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.74
Rot. Bonds3

About 5-bromo-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide

5-bromo-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide (PubChem CID 65309798) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 5-bromo-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
PubChem CID65309798
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name5-bromo-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
SMILESCc1ccc(Br)cc1C(=O)N(C)Cc1cccc(O)c1
InChIInChI=1S/C16H16BrNO2/c1-11-6-7-13(17)9-15(11)16(20)18(2)10-12-4-3-5-14(19)8-12/h3-9,19H,10H2,1-2H3
InChIKeyXHKPEQNCCZCGMB-UHFFFAOYSA-N
XLogP3.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide
CID 65307667
2-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylfuran-3-carboxamide
CID 106853584
2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide
CID 107982324
2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid
CID 60951116
3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
CID 61115143
N-[(3-bromophenyl)methyl]-3-hydroxy-N,4-dimethylbenzamide
CID 61416207
2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 114370543
4,5-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47340324
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 114371373
N-(2-amino-2-oxoethyl)-5-bromo-N,2-dimethylbenzamide
CID 65307029
5-bromo-N-butyl-N,2-dimethylbenzamide
CID 65306915

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide?
The IUPAC name of 5-bromo-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide (CID 65309798) is 5-bromo-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide.
What is the SMILES notation for 5-bromo-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide?
The canonical SMILES for 5-bromo-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide is Cc1ccc(Br)cc1C(=O)N(C)Cc1cccc(O)c1.
What is the InChIKey of 5-bromo-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide?
The InChIKey is XHKPEQNCCZCGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-11-6-7-13(17)9-15(11)16(20)18(2)10-12-4-3-5-14(19)8-12/h3-9,19H,10H2,1-2H3.
What are the key properties of 5-bromo-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide?
5-bromo-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide has a molecular weight of 334.21 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 65309798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).