2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide

C18H20BrNO3 — CID 46416040

IUPAC2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccccc2Br)cc1OC
InChIInChI=1S/C18H20BrNO3/c1-4-23-16-10-9-13(11-17(16)22-3)12(2)20-18(21)14-7-5-6-8-15(14)19/h5-12H,4H2,1-3H3,(H,20,21)
InChIKeyGLRVIWVWHGUYLC-UHFFFAOYSA-N
MW378.27 g/mol
LogP4.35
Rot. Bonds6

About 2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide

2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide (PubChem CID 46416040) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide
PubChem CID46416040
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccccc2Br)cc1OC
InChIInChI=1S/C18H20BrNO3/c1-4-23-16-10-9-13(11-17(16)22-3)12(2)20-18(21)14-7-5-6-8-15(14)19/h5-12H,4H2,1-3H3,(H,20,21)
InChIKeyGLRVIWVWHGUYLC-UHFFFAOYSA-N
XLogP4.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[(2-bromobenzoyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 1271460
2-chloro-N-[1-[1-(4-ethoxy-3-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 46448294
2-bromo-N-[1-(3,4-diethoxyphenyl)ethyl]-5-fluorobenzamide
CID 43022804
2-bromo-N-[(1R)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide
CID 1220452
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 2573137
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222
ethyl 2-[4-[1-[(2-chlorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate
CID 42959968
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1H-indazole-7-carboxamide
CID 46417867
2-bromo-5-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 78890426
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46415728
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 962592

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide (CID 46416040) is 2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide is CCOc1ccc(C(C)NC(=O)c2ccccc2Br)cc1OC.
What is the InChIKey of 2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide?
The InChIKey is GLRVIWVWHGUYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-4-23-16-10-9-13(11-17(16)22-3)12(2)20-18(21)14-7-5-6-8-15(14)19/h5-12H,4H2,1-3H3,(H,20,21).
What are the key properties of 2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide?
2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide has a molecular weight of 378.27 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 46416040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).