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

C16H16BrNO2 — CID 22346935

IUPAC4-bromo-2-methoxy-N-(2-phenylethyl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C16H16BrNO2/c1-20-15-11-13(17)7-8-14(15)16(19)18-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyMBOHZZXBJNJGSU-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.43
Rot. Bonds5

About 4-bromo-2-methoxy-N-(2-phenylethyl)benzamide

4-bromo-2-methoxy-N-(2-phenylethyl)benzamide (PubChem CID 22346935) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 4-bromo-2-methoxy-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-methoxy-N-(2-phenylethyl)benzamide
PubChem CID22346935
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name4-bromo-2-methoxy-N-(2-phenylethyl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C16H16BrNO2/c1-20-15-11-13(17)7-8-14(15)16(19)18-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyMBOHZZXBJNJGSU-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

5-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 17094208
N-benzyl-4-bromo-2-methoxybenzamide
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2,4,5-trimethoxy-N-(2-phenylethyl)benzamide
CID 836555
4-bromo-N-(2-bromoethyl)-2-methoxybenzamide
CID 115369513
2-[2-[(4-bromo-2-methoxybenzoyl)amino]ethoxy]acetic acid
CID 113295972
4-bromo-2-methoxy-N-(2-methylsulfanylethyl)benzamide
CID 78987502
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-methoxybenzamide
CID 83121333
2,4-dibromo-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 103882028
4-bromo-2-methoxy-N-(3-methylsulfanylpropyl)benzamide
CID 78994367
5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide
CID 17046177
4-bromo-2-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 78988023
N-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-2-methoxybenzamide
CID 113268416

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-bromo-2-methoxy-N-(2-phenylethyl)benzamide (CID 22346935) is 4-bromo-2-methoxy-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-bromo-2-methoxy-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-bromo-2-methoxy-N-(2-phenylethyl)benzamide is COc1cc(Br)ccc1C(=O)NCCc1ccccc1.
What is the InChIKey of 4-bromo-2-methoxy-N-(2-phenylethyl)benzamide?
The InChIKey is MBOHZZXBJNJGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-20-15-11-13(17)7-8-14(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 4-bromo-2-methoxy-N-(2-phenylethyl)benzamide?
4-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 4-bromo-2-methoxy-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 22346935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).