5-bromo-2-methoxy-N-(2-phenylethyl)benzamide

C16H16BrNO2 — CID 17094208

IUPAC5-bromo-2-methoxy-N-(2-phenylethyl)benzamide
SMILESCOc1ccc(Br)cc1C(=O)NCCc1ccccc1
InChIInChI=1S/C16H16BrNO2/c1-20-15-8-7-13(17)11-14(15)16(19)18-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyPNSNOGGPFOIMHJ-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.43
Rot. Bonds5

About 5-bromo-2-methoxy-N-(2-phenylethyl)benzamide

5-bromo-2-methoxy-N-(2-phenylethyl)benzamide (PubChem CID 17094208) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(2-phenylethyl)benzamide
PubChem CID17094208
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name5-bromo-2-methoxy-N-(2-phenylethyl)benzamide
SMILESCOc1ccc(Br)cc1C(=O)NCCc1ccccc1
InChIInChI=1S/C16H16BrNO2/c1-20-15-8-7-13(17)11-14(15)16(19)18-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyPNSNOGGPFOIMHJ-UHFFFAOYSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 22346935
5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide
CID 17046177
2,4,5-trimethoxy-N-(2-phenylethyl)benzamide
CID 836555
5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide
CID 17233433
5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide
CID 17046885
5-bromo-N-[3-(4-hydroxyphenyl)propyl]-2-methoxybenzamide
CID 110611985
methyl 4-[(5-bromo-2-methoxybenzoyl)amino]butanoate
CID 113241279
5-bromo-N-heptyl-2-methoxybenzamide
CID 17094234
5-(ethylsulfamoyl)-2-methoxy-N-(2-phenylethyl)benzamide
CID 19257913
5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17150403
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
N-benzyl-4-bromo-2-methoxybenzamide
CID 22346886

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(2-phenylethyl)benzamide?
The IUPAC name of 5-bromo-2-methoxy-N-(2-phenylethyl)benzamide (CID 17094208) is 5-bromo-2-methoxy-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(2-phenylethyl)benzamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(2-phenylethyl)benzamide is COc1ccc(Br)cc1C(=O)NCCc1ccccc1.
What is the InChIKey of 5-bromo-2-methoxy-N-(2-phenylethyl)benzamide?
The InChIKey is PNSNOGGPFOIMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-20-15-8-7-13(17)11-14(15)16(19)18-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,18,19).
What are the key properties of 5-bromo-2-methoxy-N-(2-phenylethyl)benzamide?
5-bromo-2-methoxy-N-(2-phenylethyl)benzamide has a molecular weight of 334.21 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 17094208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).