2-bromo-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-phenylmethoxybenzamide

C25H26BrNO4 — CID 20568689

IUPAC2-bromo-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-phenylmethoxybenzamide
SMILESCOc1ccc(CCN(C)C(=O)c2cc(OCc3ccccc3)c(OC)cc2Br)cc1
InChIInChI=1S/C25H26BrNO4/c1-27(14-13-18-9-11-20(29-2)12-10-18)25(28)21-15-24(23(30-3)16-22(21)26)31-17-19-7-5-4-6-8-19/h4-12,15-16H,13-14,17H2,1-3H3
InChIKeyCKLIQKOIZLJEGZ-UHFFFAOYSA-N
MW484.39 g/mol
LogP5.36
Rot. Bonds9

About 2-bromo-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-phenylmethoxybenzamide

2-bromo-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-phenylmethoxybenzamide (PubChem CID 20568689) has the molecular formula C25H26BrNO4 and a molecular weight of 484.39 g/mol. Its IUPAC name is 2-bromo-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-phenylmethoxybenzamide.

Molecular Properties

Compound Name2-bromo-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-phenylmethoxybenzamide
PubChem CID20568689
Molecular FormulaC25H26BrNO4
Molecular Weight484.39 g/mol
Exact Mass483.10
IUPAC Name2-bromo-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-phenylmethoxybenzamide
SMILESCOc1ccc(CCN(C)C(=O)c2cc(OCc3ccccc3)c(OC)cc2Br)cc1
InChIInChI=1S/C25H26BrNO4/c1-27(14-13-18-9-11-20(29-2)12-10-18)25(28)21-15-24(23(30-3)16-22(21)26)31-17-19-7-5-4-6-8-19/h4-12,15-16H,13-14,17H2,1-3H3
InChIKeyCKLIQKOIZLJEGZ-UHFFFAOYSA-N
XLogP5.36
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.39
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-methoxy-N-methyl-N-(2-phenylethyl)benzamide
CID 61110256
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287953
3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methyl-1-(2-phenylethyl)urea
CID 86883261
2-bromo-N-methyl-N-(2-phenylethyl)benzamide
CID 60739770
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791
3,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287948
2-chloro-4-methoxy-N-methyl-N-[methyl(propyl)carbamoyl]-5-phenylmethoxybenzamide
CID 70260112
2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine
CID 18986890
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287977
2-bromo-4-methoxy-5-phenylmethoxybenzoic acid;2-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)-1,3-benzoxazole
CID 159264511

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-phenylmethoxybenzamide?
The IUPAC name of 2-bromo-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-phenylmethoxybenzamide (CID 20568689) is 2-bromo-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-phenylmethoxybenzamide.
What is the SMILES notation for 2-bromo-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-phenylmethoxybenzamide?
The canonical SMILES for 2-bromo-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-phenylmethoxybenzamide is COc1ccc(CCN(C)C(=O)c2cc(OCc3ccccc3)c(OC)cc2Br)cc1.
What is the InChIKey of 2-bromo-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-phenylmethoxybenzamide?
The InChIKey is CKLIQKOIZLJEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrNO4/c1-27(14-13-18-9-11-20(29-2)12-10-18)25(28)21-15-24(23(30-3)16-22(21)26)31-17-19-7-5-4-6-8-19/h4-12,15-16H,13-14,17H2,1-3H3.
What are the key properties of 2-bromo-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-phenylmethoxybenzamide?
2-bromo-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-phenylmethoxybenzamide has a molecular weight of 484.39 g/mol, XLogP of 5.36, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-phenylmethoxybenzamide is sourced from PubChem (CID 20568689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).