5-bromo-2-ethoxy-N-[3-[ethyl(phenyl)carbamoyl]phenyl]benzamide

C24H23BrN2O3 — CID 17222029

IUPAC5-bromo-2-ethoxy-N-[3-[ethyl(phenyl)carbamoyl]phenyl]benzamide
SMILESCCOc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)N(CC)c2ccccc2)c1
InChIInChI=1S/C24H23BrN2O3/c1-3-27(20-11-6-5-7-12-20)24(29)17-9-8-10-19(15-17)26-23(28)21-16-18(25)13-14-22(21)30-4-2/h5-16H,3-4H2,1-2H3,(H,26,28)
InChIKeyYBNXMWKSIRJFLX-UHFFFAOYSA-N
MW467.36 g/mol
LogP5.77
Rot. Bonds7

About 5-bromo-2-ethoxy-N-[3-[ethyl(phenyl)carbamoyl]phenyl]benzamide

5-bromo-2-ethoxy-N-[3-[ethyl(phenyl)carbamoyl]phenyl]benzamide (PubChem CID 17222029) has the molecular formula C24H23BrN2O3 and a molecular weight of 467.36 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-[3-[ethyl(phenyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-[3-[ethyl(phenyl)carbamoyl]phenyl]benzamide
PubChem CID17222029
Molecular FormulaC24H23BrN2O3
Molecular Weight467.36 g/mol
Exact Mass466.09
IUPAC Name5-bromo-2-ethoxy-N-[3-[ethyl(phenyl)carbamoyl]phenyl]benzamide
SMILESCCOc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)N(CC)c2ccccc2)c1
InChIInChI=1S/C24H23BrN2O3/c1-3-27(20-11-6-5-7-12-20)24(29)17-9-8-10-19(15-17)26-23(28)21-16-18(25)13-14-22(21)30-4-2/h5-16H,3-4H2,1-2H3,(H,26,28)
InChIKeyYBNXMWKSIRJFLX-UHFFFAOYSA-N
XLogP5.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.36
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
CID 17222040
5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 17222041
N-(3-benzamidophenyl)-5-bromo-2-ethoxybenzamide
CID 17234910
3-[(5-bromo-2-ethoxybenzoyl)amino]benzoic acid
CID 1026604
5-bromo-N-[[3-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 17222173
5-bromo-N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methoxybenzamide
CID 17229681
5-bromo-2-butoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide
CID 17227864
5-bromo-2-(2-methoxyethoxy)-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide
CID 17227875
3-[(4-ethoxybenzoyl)amino]-N-ethyl-N-phenylbenzamide
CID 17221972
5-bromo-N-[3-(diethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17194642
3-bromo-4-ethoxy-N-[[3-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17222187
5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17231903

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-[3-[ethyl(phenyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 5-bromo-2-ethoxy-N-[3-[ethyl(phenyl)carbamoyl]phenyl]benzamide (CID 17222029) is 5-bromo-2-ethoxy-N-[3-[ethyl(phenyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-[3-[ethyl(phenyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-[3-[ethyl(phenyl)carbamoyl]phenyl]benzamide is CCOc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)N(CC)c2ccccc2)c1.
What is the InChIKey of 5-bromo-2-ethoxy-N-[3-[ethyl(phenyl)carbamoyl]phenyl]benzamide?
The InChIKey is YBNXMWKSIRJFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O3/c1-3-27(20-11-6-5-7-12-20)24(29)17-9-8-10-19(15-17)26-23(28)21-16-18(25)13-14-22(21)30-4-2/h5-16H,3-4H2,1-2H3,(H,26,28).
What are the key properties of 5-bromo-2-ethoxy-N-[3-[ethyl(phenyl)carbamoyl]phenyl]benzamide?
5-bromo-2-ethoxy-N-[3-[ethyl(phenyl)carbamoyl]phenyl]benzamide has a molecular weight of 467.36 g/mol, XLogP of 5.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N-[3-[ethyl(phenyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 17222029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).