4-bromo-N-(2-ethylphenyl)-2-methoxybenzamide

C16H16BrNO2 — CID 78987528

IUPAC4-bromo-N-(2-ethylphenyl)-2-methoxybenzamide
SMILESCCc1ccccc1NC(=O)c1ccc(Br)cc1OC
InChIInChI=1S/C16H16BrNO2/c1-3-11-6-4-5-7-14(11)18-16(19)13-9-8-12(17)10-15(13)20-2/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyDUEDMXGPBIQJGS-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.27
Rot. Bonds4

About 4-bromo-N-(2-ethylphenyl)-2-methoxybenzamide

4-bromo-N-(2-ethylphenyl)-2-methoxybenzamide (PubChem CID 78987528) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 4-bromo-N-(2-ethylphenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-ethylphenyl)-2-methoxybenzamide
PubChem CID78987528
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name4-bromo-N-(2-ethylphenyl)-2-methoxybenzamide
SMILESCCc1ccccc1NC(=O)c1ccc(Br)cc1OC
InChIInChI=1S/C16H16BrNO2/c1-3-11-6-4-5-7-14(11)18-16(19)13-9-8-12(17)10-15(13)20-2/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyDUEDMXGPBIQJGS-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 78987594
4-bromo-N-[2-(dimethylamino)phenyl]-2-methoxybenzamide
CID 78987938
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 78987526
4-bromo-N-(2-bromo-3-pyridinyl)-2-methoxybenzamide
CID 103819401
N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide
CID 115368533
4-bromo-N-(5-bromo-2-chlorophenyl)-2-methoxybenzamide
CID 78920099
4-acetamido-5-chloro-N-(2-ethylphenyl)-2-methoxybenzamide
CID 17257106
4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide
CID 78987785
4-chloro-N-[2-(chloromethyl)phenyl]-2-methoxybenzamide
CID 114298257
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N-[2-(aminomethyl)phenyl]-4-chloro-2-methoxybenzamide
CID 64882519

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-ethylphenyl)-2-methoxybenzamide?
The IUPAC name of 4-bromo-N-(2-ethylphenyl)-2-methoxybenzamide (CID 78987528) is 4-bromo-N-(2-ethylphenyl)-2-methoxybenzamide.
What is the SMILES notation for 4-bromo-N-(2-ethylphenyl)-2-methoxybenzamide?
The canonical SMILES for 4-bromo-N-(2-ethylphenyl)-2-methoxybenzamide is CCc1ccccc1NC(=O)c1ccc(Br)cc1OC.
What is the InChIKey of 4-bromo-N-(2-ethylphenyl)-2-methoxybenzamide?
The InChIKey is DUEDMXGPBIQJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-3-11-6-4-5-7-14(11)18-16(19)13-9-8-12(17)10-15(13)20-2/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of 4-bromo-N-(2-ethylphenyl)-2-methoxybenzamide?
4-bromo-N-(2-ethylphenyl)-2-methoxybenzamide has a molecular weight of 334.21 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-ethylphenyl)-2-methoxybenzamide is sourced from PubChem (CID 78987528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).