2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide

C16H16BrNO2 — CID 699177

IUPAC2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C16H16BrNO2/c1-20-13-8-6-12(7-9-13)10-11-18-16(19)14-4-2-3-5-15(14)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyFEIKYCFFEPEEJK-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.43
Rot. Bonds5

About 2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide

2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 699177) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
PubChem CID699177
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C16H16BrNO2/c1-20-13-8-6-12(7-9-13)10-11-18-16(19)14-4-2-3-5-15(14)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyFEIKYCFFEPEEJK-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

N-[2-(4-methoxyphenyl)ethyl]-2-sulfanylbenzamide
CID 103601610
N-[2-(4-methoxyphenyl)ethyl]naphthalene-1-carboxamide
CID 2231008
2-bromo-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 16889430
2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 27646500
2,3-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 35509323
2-[(2-bromobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 26549860
2-(2-bromophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7847687
2-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzamide
CID 17480805
2-amino-N-[2-(4-methoxyphenyl)ethylcarbamoyl]benzamide
CID 108901974
2-bromo-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 27774139
N-[2-(4-methoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100708090
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide (CID 699177) is 2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide is COc1ccc(CCNC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is FEIKYCFFEPEEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-20-13-8-6-12(7-9-13)10-11-18-16(19)14-4-2-3-5-15(14)17/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide?
2-bromo-N-[2-(4-methoxyphenyl)ethyl]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 2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 699177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).