3-bromo-4-ethoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide

C27H24BrNO3 — CID 3579637

IUPAC3-bromo-4-ethoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)NCc2cccc3ccccc23)cc1OCc1ccccc1
InChIInChI=1S/C27H24BrNO3/c1-2-31-26-24(28)15-22(16-25(26)32-18-19-9-4-3-5-10-19)27(30)29-17-21-13-8-12-20-11-6-7-14-23(20)21/h3-16H,2,17-18H2,1H3,(H,29,30)
InChIKeySMYMOXVKJLFMLW-UHFFFAOYSA-N
MW490.40 g/mol
LogP6.51
Rot. Bonds8

About 3-bromo-4-ethoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide

3-bromo-4-ethoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide (PubChem CID 3579637) has the molecular formula C27H24BrNO3 and a molecular weight of 490.40 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide
PubChem CID3579637
Molecular FormulaC27H24BrNO3
Molecular Weight490.40 g/mol
Exact Mass489.09
IUPAC Name3-bromo-4-ethoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)NCc2cccc3ccccc23)cc1OCc1ccccc1
InChIInChI=1S/C27H24BrNO3/c1-2-31-26-24(28)15-22(16-25(26)32-18-19-9-4-3-5-10-19)27(30)29-17-21-13-8-12-20-11-6-7-14-23(20)21/h3-16H,2,17-18H2,1H3,(H,29,30)
InChIKeySMYMOXVKJLFMLW-UHFFFAOYSA-N
XLogP6.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.40
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-methoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide
CID 5035331
N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide
CID 5008946
3-bromo-N-(2,3-dimethylphenyl)-4-ethoxy-5-phenylmethoxybenzamide
CID 5015418
3-bromo-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
CID 3901187
3-bromo-N-[[2-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-5-methoxybenzamide
CID 26722982
N-benzyl-3-bromo-4,5-dimethoxybenzamide
CID 1008056
N-benzyl-3-ethoxy-4-phenylmethoxybenzamide
CID 2192321
3-chloro-4-ethoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide
CID 4675114
3-bromo-4-ethoxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916758
3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 7959624
3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26181168
3-bromo-5-ethoxy-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916792

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide?
The IUPAC name of 3-bromo-4-ethoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide (CID 3579637) is 3-bromo-4-ethoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide?
The canonical SMILES for 3-bromo-4-ethoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide is CCOc1c(Br)cc(C(=O)NCc2cccc3ccccc23)cc1OCc1ccccc1.
What is the InChIKey of 3-bromo-4-ethoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide?
The InChIKey is SMYMOXVKJLFMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24BrNO3/c1-2-31-26-24(28)15-22(16-25(26)32-18-19-9-4-3-5-10-19)27(30)29-17-21-13-8-12-20-11-6-7-14-23(20)21/h3-16H,2,17-18H2,1H3,(H,29,30).
What are the key properties of 3-bromo-4-ethoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide?
3-bromo-4-ethoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide has a molecular weight of 490.40 g/mol, XLogP of 6.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide is sourced from PubChem (CID 3579637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).