3-bromo-N-[4-(4-ethoxyphenoxy)phenyl]benzamide

C21H18BrNO3 — CID 7925302

IUPAC3-bromo-N-[4-(4-ethoxyphenoxy)phenyl]benzamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)c3cccc(Br)c3)cc2)cc1
InChIInChI=1S/C21H18BrNO3/c1-2-25-18-10-12-20(13-11-18)26-19-8-6-17(7-9-19)23-21(24)15-4-3-5-16(22)14-15/h3-14H,2H2,1H3,(H,23,24)
InChIKeyLAFFMHIGXRQWHC-UHFFFAOYSA-N
MW412.28 g/mol
LogP5.89
Rot. Bonds6

About 3-bromo-N-[4-(4-ethoxyphenoxy)phenyl]benzamide

3-bromo-N-[4-(4-ethoxyphenoxy)phenyl]benzamide (PubChem CID 7925302) has the molecular formula C21H18BrNO3 and a molecular weight of 412.28 g/mol. Its IUPAC name is 3-bromo-N-[4-(4-ethoxyphenoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(4-ethoxyphenoxy)phenyl]benzamide
PubChem CID7925302
Molecular FormulaC21H18BrNO3
Molecular Weight412.28 g/mol
Exact Mass411.05
IUPAC Name3-bromo-N-[4-(4-ethoxyphenoxy)phenyl]benzamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)c3cccc(Br)c3)cc2)cc1
InChIInChI=1S/C21H18BrNO3/c1-2-25-18-10-12-20(13-11-18)26-19-8-6-17(7-9-19)23-21(24)15-4-3-5-16(22)14-15/h3-14H,2H2,1H3,(H,23,24)
InChIKeyLAFFMHIGXRQWHC-UHFFFAOYSA-N
XLogP5.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.28
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(4-ethoxyphenyl)benzamide
CID 17396899
3-N-(3,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109057223
3-(difluoromethoxy)-N-[4-(4-ethoxyphenoxy)phenyl]benzamide
CID 7925305
3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056979
3-[(4-ethoxybenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 1228510
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
1-N-(4-ethoxyphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050601
O-[3-[(4-ethoxyphenyl)carbamoyl]phenyl] N-(4-bromophenyl)carbamothioate
CID 1243935
1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109057669
3-bromo-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 54790774
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-bromobenzoate
CID 46629707
5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 835761

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(4-ethoxyphenoxy)phenyl]benzamide?
The IUPAC name of 3-bromo-N-[4-(4-ethoxyphenoxy)phenyl]benzamide (CID 7925302) is 3-bromo-N-[4-(4-ethoxyphenoxy)phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-(4-ethoxyphenoxy)phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-(4-ethoxyphenoxy)phenyl]benzamide is CCOc1ccc(Oc2ccc(NC(=O)c3cccc(Br)c3)cc2)cc1.
What is the InChIKey of 3-bromo-N-[4-(4-ethoxyphenoxy)phenyl]benzamide?
The InChIKey is LAFFMHIGXRQWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO3/c1-2-25-18-10-12-20(13-11-18)26-19-8-6-17(7-9-19)23-21(24)15-4-3-5-16(22)14-15/h3-14H,2H2,1H3,(H,23,24).
What are the key properties of 3-bromo-N-[4-(4-ethoxyphenoxy)phenyl]benzamide?
3-bromo-N-[4-(4-ethoxyphenoxy)phenyl]benzamide has a molecular weight of 412.28 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(4-ethoxyphenoxy)phenyl]benzamide is sourced from PubChem (CID 7925302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).