N-[(3-bromophenyl)methyl]-3-hydroxy-N,4-dimethylbenzamide

C16H16BrNO2 — CID 61416207

IUPACN-[(3-bromophenyl)methyl]-3-hydroxy-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2cccc(Br)c2)cc1O
InChIInChI=1S/C16H16BrNO2/c1-11-6-7-13(9-15(11)19)16(20)18(2)10-12-4-3-5-14(17)8-12/h3-9,19H,10H2,1-2H3
InChIKeyIXXOOSCFOXSOHL-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.74
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-3-hydroxy-N,4-dimethylbenzamide

N-[(3-bromophenyl)methyl]-3-hydroxy-N,4-dimethylbenzamide (PubChem CID 61416207) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-3-hydroxy-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-3-hydroxy-N,4-dimethylbenzamide
PubChem CID61416207
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC NameN-[(3-bromophenyl)methyl]-3-hydroxy-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2cccc(Br)c2)cc1O
InChIInChI=1S/C16H16BrNO2/c1-11-6-7-13(9-15(11)19)16(20)18(2)10-12-4-3-5-14(17)8-12/h3-9,19H,10H2,1-2H3
InChIKeyIXXOOSCFOXSOHL-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-[(3-bromophenyl)methyl]-4-hydroxy-N,3-dimethylbenzamide
CID 103956433
3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
CID 54916014
N-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220856
4-amino-N-[(3-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62682042
N-[(3-bromophenyl)methyl]-N-methylpyrimidine-5-carboxamide
CID 104626014
2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide
CID 107982324
N-[(3-bromophenyl)methyl]-2,6-difluoro-N,3-dimethylbenzamide
CID 82797938
N-[(3-bromophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63849991
3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47180891
3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 31145203
3-hydroxy-4-iodo-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 104627629
5-bromo-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
CID 65309798

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-3-hydroxy-N,4-dimethylbenzamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-3-hydroxy-N,4-dimethylbenzamide (CID 61416207) is N-[(3-bromophenyl)methyl]-3-hydroxy-N,4-dimethylbenzamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-3-hydroxy-N,4-dimethylbenzamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-3-hydroxy-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)Cc2cccc(Br)c2)cc1O.
What is the InChIKey of N-[(3-bromophenyl)methyl]-3-hydroxy-N,4-dimethylbenzamide?
The InChIKey is IXXOOSCFOXSOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-11-6-7-13(9-15(11)19)16(20)18(2)10-12-4-3-5-14(17)8-12/h3-9,19H,10H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-3-hydroxy-N,4-dimethylbenzamide?
N-[(3-bromophenyl)methyl]-3-hydroxy-N,4-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-[(3-bromophenyl)methyl]-3-hydroxy-N,4-dimethylbenzamide is sourced from PubChem (CID 61416207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).