5-bromo-N-(4-phenylmethoxyphenyl)-2-propoxybenzamide

C23H22BrNO3 — CID 17351533

IUPAC5-bromo-N-(4-phenylmethoxyphenyl)-2-propoxybenzamide
SMILESCCCOc1ccc(Br)cc1C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H22BrNO3/c1-2-14-27-22-13-8-18(24)15-21(22)23(26)25-19-9-11-20(12-10-19)28-16-17-6-4-3-5-7-17/h3-13,15H,2,14,16H2,1H3,(H,25,26)
InChIKeyJENWFBOJWVDURR-UHFFFAOYSA-N
MW440.34 g/mol
LogP6.07
Rot. Bonds8

About 5-bromo-N-(4-phenylmethoxyphenyl)-2-propoxybenzamide

5-bromo-N-(4-phenylmethoxyphenyl)-2-propoxybenzamide (PubChem CID 17351533) has the molecular formula C23H22BrNO3 and a molecular weight of 440.34 g/mol. Its IUPAC name is 5-bromo-N-(4-phenylmethoxyphenyl)-2-propoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(4-phenylmethoxyphenyl)-2-propoxybenzamide
PubChem CID17351533
Molecular FormulaC23H22BrNO3
Molecular Weight440.34 g/mol
Exact Mass439.08
IUPAC Name5-bromo-N-(4-phenylmethoxyphenyl)-2-propoxybenzamide
SMILESCCCOc1ccc(Br)cc1C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H22BrNO3/c1-2-14-27-22-13-8-18(24)15-21(22)23(26)25-19-9-11-20(12-10-19)28-16-17-6-4-3-5-7-17/h3-13,15H,2,14,16H2,1H3,(H,25,26)
InChIKeyJENWFBOJWVDURR-UHFFFAOYSA-N
XLogP6.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.34
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17046073
5-bromo-2-chloro-N-(4-phenylmethoxyphenyl)benzamide
CID 2953641
5-bromo-2-ethoxy-N-[(4-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17353316
5-bromo-2-butoxy-N-(4-hexoxyphenyl)benzamide
CID 17350069
5-bromo-N-(4-chlorophenyl)-2-propoxybenzamide
CID 17351377
5-bromo-N-(4-iodophenyl)-2-propoxybenzamide
CID 17351391
5-bromo-2-(2-phenylethoxy)-N-(4-propan-2-yloxyphenyl)benzamide
CID 17046227
5-bromo-N-(4-butan-2-yloxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17160665
N-[4-[[(5-bromo-2-butoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 17350275
5-bromo-2-propoxy-N-[(4-propoxyphenyl)carbamothioyl]benzamide
CID 17352134
5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide
CID 17344071
5-bromo-2-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17349933

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-phenylmethoxyphenyl)-2-propoxybenzamide?
The IUPAC name of 5-bromo-N-(4-phenylmethoxyphenyl)-2-propoxybenzamide (CID 17351533) is 5-bromo-N-(4-phenylmethoxyphenyl)-2-propoxybenzamide.
What is the SMILES notation for 5-bromo-N-(4-phenylmethoxyphenyl)-2-propoxybenzamide?
The canonical SMILES for 5-bromo-N-(4-phenylmethoxyphenyl)-2-propoxybenzamide is CCCOc1ccc(Br)cc1C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 5-bromo-N-(4-phenylmethoxyphenyl)-2-propoxybenzamide?
The InChIKey is JENWFBOJWVDURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrNO3/c1-2-14-27-22-13-8-18(24)15-21(22)23(26)25-19-9-11-20(12-10-19)28-16-17-6-4-3-5-7-17/h3-13,15H,2,14,16H2,1H3,(H,25,26).
What are the key properties of 5-bromo-N-(4-phenylmethoxyphenyl)-2-propoxybenzamide?
5-bromo-N-(4-phenylmethoxyphenyl)-2-propoxybenzamide has a molecular weight of 440.34 g/mol, XLogP of 6.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-phenylmethoxyphenyl)-2-propoxybenzamide is sourced from PubChem (CID 17351533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).