3-bromo-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide

C23H22BrNO4 — CID 3901187

IUPAC3-bromo-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)Nc2cccc(OC)c2)cc1OCc1ccccc1
InChIInChI=1S/C23H22BrNO4/c1-3-28-22-20(24)12-17(13-21(22)29-15-16-8-5-4-6-9-16)23(26)25-18-10-7-11-19(14-18)27-2/h4-14H,3,15H2,1-2H3,(H,25,26)
InChIKeyLFZHTYIPGWYYMN-UHFFFAOYSA-N
MW456.34 g/mol
LogP5.69
Rot. Bonds8

About 3-bromo-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide

3-bromo-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide (PubChem CID 3901187) has the molecular formula C23H22BrNO4 and a molecular weight of 456.34 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
PubChem CID3901187
Molecular FormulaC23H22BrNO4
Molecular Weight456.34 g/mol
Exact Mass455.07
IUPAC Name3-bromo-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)Nc2cccc(OC)c2)cc1OCc1ccccc1
InChIInChI=1S/C23H22BrNO4/c1-3-28-22-20(24)12-17(13-21(22)29-15-16-8-5-4-6-9-16)23(26)25-18-10-7-11-19(14-18)27-2/h4-14H,3,15H2,1-2H3,(H,25,26)
InChIKeyLFZHTYIPGWYYMN-UHFFFAOYSA-N
XLogP5.69
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.34
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
CID 3889618
3-iodo-4-methoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
CID 3340832
3-bromo-N-(2,3-dimethylphenyl)-4-ethoxy-5-phenylmethoxybenzamide
CID 5015418
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
N-(3-methylphenyl)-3,4,5-tris(phenylmethoxy)benzamide
CID 122498346
3-bromo-N-(3-methoxyphenyl)-4-(2-phenylethoxy)benzamide
CID 17072702
3-bromo-4-ethoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide
CID 3579637
3,4,5-triethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide
CID 1048188
3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide
CID 5008946
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
N-(1,3-benzodioxol-5-yl)-3-bromo-5-methoxy-4-phenylmethoxybenzamide
CID 2471016

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide?
The IUPAC name of 3-bromo-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide (CID 3901187) is 3-bromo-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide?
The canonical SMILES for 3-bromo-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide is CCOc1c(Br)cc(C(=O)Nc2cccc(OC)c2)cc1OCc1ccccc1.
What is the InChIKey of 3-bromo-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide?
The InChIKey is LFZHTYIPGWYYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrNO4/c1-3-28-22-20(24)12-17(13-21(22)29-15-16-8-5-4-6-9-16)23(26)25-18-10-7-11-19(14-18)27-2/h4-14H,3,15H2,1-2H3,(H,25,26).
What are the key properties of 3-bromo-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide?
3-bromo-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide has a molecular weight of 456.34 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide is sourced from PubChem (CID 3901187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).