3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide

C24H23BrN2O4 — CID 17073820

IUPAC3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(OCC)c(Br)c2)cc1
InChIInChI=1S/C24H23BrN2O4/c1-3-30-18-12-10-17(11-13-18)26-24(29)19-7-5-6-8-21(19)27-23(28)16-9-14-22(31-4-2)20(25)15-16/h5-15H,3-4H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyXTOBZZUCWQTKIV-UHFFFAOYSA-N
MW483.36 g/mol
LogP5.75
Rot. Bonds8

About 3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide

3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide (PubChem CID 17073820) has the molecular formula C24H23BrN2O4 and a molecular weight of 483.36 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide
PubChem CID17073820
Molecular FormulaC24H23BrN2O4
Molecular Weight483.36 g/mol
Exact Mass482.08
IUPAC Name3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(OCC)c(Br)c2)cc1
InChIInChI=1S/C24H23BrN2O4/c1-3-30-18-12-10-17(11-13-18)26-24(29)19-7-5-6-8-21(19)27-23(28)16-9-14-22(31-4-2)20(25)15-16/h5-15H,3-4H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyXTOBZZUCWQTKIV-UHFFFAOYSA-N
XLogP5.75
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.36
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
CID 1095399
3-bromo-4-(2-methoxyethoxy)-N-[2-(phenylcarbamoyl)phenyl]benzamide
CID 17356314
N-[2-[(4-anilinophenyl)carbamoyl]phenyl]-3-bromo-4-propoxybenzamide
CID 17342800
3-bromo-4-ethoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 17073804
3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide
CID 17073835
3-bromo-4-butoxy-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide
CID 4955844
3-bromo-N-[2-(butan-2-ylcarbamoyl)phenyl]-4-ethoxybenzamide
CID 17151300
3-bromo-N-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioyl]-4-methylbenzamide
CID 4941688
2-[[4-[(4-ethoxybenzoyl)amino]benzoyl]amino]benzoate
CID 9325388
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 4941456
3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151006
2-[(3-butan-2-yloxybenzoyl)amino]-N-(4-ethoxyphenyl)benzamide
CID 17149792

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide (CID 17073820) is 3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide is CCOc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(OCC)c(Br)c2)cc1.
What is the InChIKey of 3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide?
The InChIKey is XTOBZZUCWQTKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O4/c1-3-30-18-12-10-17(11-13-18)26-24(29)19-7-5-6-8-21(19)27-23(28)16-9-14-22(31-4-2)20(25)15-16/h5-15H,3-4H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide?
3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide has a molecular weight of 483.36 g/mol, XLogP of 5.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 17073820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).