5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide

C18H20BrNO3 — CID 17046177

IUPAC5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide
SMILESCOCCNC(=O)c1cc(Br)ccc1OCCc1ccccc1
InChIInChI=1S/C18H20BrNO3/c1-22-12-10-20-18(21)16-13-15(19)7-8-17(16)23-11-9-14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,20,21)
InChIKeyHNKRJFKXHSPNDS-UHFFFAOYSA-N
MW378.27 g/mol
LogP3.45
Rot. Bonds8

About 5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide

5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide (PubChem CID 17046177) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide
PubChem CID17046177
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide
SMILESCOCCNC(=O)c1cc(Br)ccc1OCCc1ccccc1
InChIInChI=1S/C18H20BrNO3/c1-22-12-10-20-18(21)16-13-15(19)7-8-17(16)23-11-9-14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,20,21)
InChIKeyHNKRJFKXHSPNDS-UHFFFAOYSA-N
XLogP3.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide
CID 17046885
5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17150403
N-benzyl-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046109
5-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 17094208
5-bromo-2-(2-phenylethoxy)benzoic acid
CID 16641240
5-bromo-N-(2-fluorophenyl)-2-(2-phenylethoxy)benzamide
CID 17046174
5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-phenylethoxy)benzamide
CID 46762525
5-bromo-N'-(2-phenoxyacetyl)-2-(2-phenylethoxy)benzohydrazide
CID 17046364
5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17046073
N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide
CID 17234918
5-bromo-2-(2-phenylethoxy)-N-(2,4,5-trichlorophenyl)benzamide
CID 17046139
5-bromo-2-(2-phenylethoxy)-N-(4-propan-2-yloxyphenyl)benzamide
CID 17046227

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide?
The IUPAC name of 5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide (CID 17046177) is 5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide.
What is the SMILES notation for 5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide?
The canonical SMILES for 5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide is COCCNC(=O)c1cc(Br)ccc1OCCc1ccccc1.
What is the InChIKey of 5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide?
The InChIKey is HNKRJFKXHSPNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-22-12-10-20-18(21)16-13-15(19)7-8-17(16)23-11-9-14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,20,21).
What are the key properties of 5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide?
5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide has a molecular weight of 378.27 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide is sourced from PubChem (CID 17046177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).