N-[(4-bromophenyl)methyl]-2-hydroxy-N,5-dimethylbenzamide

C16H16BrNO2 — CID 42987430

IUPACN-[(4-bromophenyl)methyl]-2-hydroxy-N,5-dimethylbenzamide
SMILESCc1ccc(O)c(C(=O)N(C)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C16H16BrNO2/c1-11-3-8-15(19)14(9-11)16(20)18(2)10-12-4-6-13(17)7-5-12/h3-9,19H,10H2,1-2H3
InChIKeyINUNTXLKKULSIK-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.74
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-2-hydroxy-N,5-dimethylbenzamide

N-[(4-bromophenyl)methyl]-2-hydroxy-N,5-dimethylbenzamide (PubChem CID 42987430) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-hydroxy-N,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-hydroxy-N,5-dimethylbenzamide
PubChem CID42987430
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC NameN-[(4-bromophenyl)methyl]-2-hydroxy-N,5-dimethylbenzamide
SMILESCc1ccc(O)c(C(=O)N(C)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C16H16BrNO2/c1-11-3-8-15(19)14(9-11)16(20)18(2)10-12-4-6-13(17)7-5-12/h3-9,19H,10H2,1-2H3
InChIKeyINUNTXLKKULSIK-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

N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide
CID 60628421
5-bromo-2-hydroxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 43016464
2-hydroxy-N-(2-hydroxyethyl)-N,5-dimethylbenzamide
CID 60652527
5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide
CID 103600040
N-[(4-tert-butylphenyl)methyl]-2-hydroxy-N,4-dimethylbenzamide
CID 31236411
N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide
CID 43458074
N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide
CID 100542363
2-hydroxy-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide
CID 115968436
N-(2,2-difluoroethyl)-2-hydroxy-N,5-dimethylbenzamide
CID 115611587
2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 28799501
2,5-dibromo-N-methyl-N-[(4-methylphenyl)methyl]thiophene-3-carboxamide
CID 113237231
2-hydroxy-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 51237804

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-hydroxy-N,5-dimethylbenzamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-hydroxy-N,5-dimethylbenzamide (CID 42987430) is N-[(4-bromophenyl)methyl]-2-hydroxy-N,5-dimethylbenzamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-hydroxy-N,5-dimethylbenzamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-hydroxy-N,5-dimethylbenzamide is Cc1ccc(O)c(C(=O)N(C)Cc2ccc(Br)cc2)c1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-hydroxy-N,5-dimethylbenzamide?
The InChIKey is INUNTXLKKULSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-11-3-8-15(19)14(9-11)16(20)18(2)10-12-4-6-13(17)7-5-12/h3-9,19H,10H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-2-hydroxy-N,5-dimethylbenzamide?
N-[(4-bromophenyl)methyl]-2-hydroxy-N,5-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 N-[(4-bromophenyl)methyl]-2-hydroxy-N,5-dimethylbenzamide is sourced from PubChem (CID 42987430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).