2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide

C16H16BrNO2 — CID 17329704

IUPAC2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(C(C)NC(=O)c2ccccc2Br)c1
InChIInChI=1S/C16H16BrNO2/c1-11(12-6-5-7-13(10-12)20-2)18-16(19)14-8-3-4-9-15(14)17/h3-11H,1-2H3,(H,18,19)
InChIKeyKAXYYOBQPKTNSE-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.95
Rot. Bonds4

About 2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide

2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 17329704) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide
PubChem CID17329704
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(C(C)NC(=O)c2ccccc2Br)c1
InChIInChI=1S/C16H16BrNO2/c1-11(12-6-5-7-13(10-12)20-2)18-16(19)14-8-3-4-9-15(14)17/h3-11H,1-2H3,(H,18,19)
InChIKeyKAXYYOBQPKTNSE-UHFFFAOYSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-chloro-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 103985511
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 962592
N-[1-(3-methoxyphenyl)ethyl]-2-phenylbenzamide
CID 154835213
2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 842039
N-[1-(3-acetamidophenyl)ethyl]-2-bromobenzamide
CID 46598923
4,5-dibromo-N-[(1S)-1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 999661
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylbenzamide
CID 81355155
5-bromo-N-[1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17329824
2-bromo-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 8795965
2-chloro-4,5-difluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 42563597
2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide
CID 46416040
(2R)-2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 81354308

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide (CID 17329704) is 2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide is COc1cccc(C(C)NC(=O)c2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is KAXYYOBQPKTNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-11(12-6-5-7-13(10-12)20-2)18-16(19)14-8-3-4-9-15(14)17/h3-11H,1-2H3,(H,18,19).
What are the key properties of 2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide?
2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 334.21 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 17329704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).