5-bromo-N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methoxybenzamide

C23H21BrN2O3 — CID 17229681

IUPAC5-bromo-N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methoxybenzamide
SMILESCCN(C(=O)c1ccc(NC(=O)c2cc(Br)ccc2OC)cc1)c1ccccc1
InChIInChI=1S/C23H21BrN2O3/c1-3-26(19-7-5-4-6-8-19)23(28)16-9-12-18(13-10-16)25-22(27)20-15-17(24)11-14-21(20)29-2/h4-15H,3H2,1-2H3,(H,25,27)
InChIKeyYMCZLRHHGBWRGY-UHFFFAOYSA-N
MW453.34 g/mol
LogP5.38
Rot. Bonds6

About 5-bromo-N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methoxybenzamide

5-bromo-N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methoxybenzamide (PubChem CID 17229681) has the molecular formula C23H21BrN2O3 and a molecular weight of 453.34 g/mol. Its IUPAC name is 5-bromo-N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methoxybenzamide
PubChem CID17229681
Molecular FormulaC23H21BrN2O3
Molecular Weight453.34 g/mol
Exact Mass452.07
IUPAC Name5-bromo-N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methoxybenzamide
SMILESCCN(C(=O)c1ccc(NC(=O)c2cc(Br)ccc2OC)cc1)c1ccccc1
InChIInChI=1S/C23H21BrN2O3/c1-3-26(19-7-5-4-6-8-19)23(28)16-9-12-18(13-10-16)25-22(27)20-15-17(24)11-14-21(20)29-2/h4-15H,3H2,1-2H3,(H,25,27)
InChIKeyYMCZLRHHGBWRGY-UHFFFAOYSA-N
XLogP5.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.34
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
CID 17196839
5-bromo-2-ethoxy-N-[3-[ethyl(phenyl)carbamoyl]phenyl]benzamide
CID 17222029
5-bromo-N-[[4-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-2-hexoxybenzamide
CID 17229952
5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 17222041
5-bromo-N-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-2-methoxybenzamide
CID 17186889
5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
CID 17222040
N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 1243669
4-[(4-bromobenzoyl)carbamothioylamino]-N-ethyl-N-phenylbenzamide
CID 54791552
4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
CID 109049216
N-[(4-benzamidophenyl)carbamothioyl]-5-bromo-2-methoxybenzamide
CID 17235775
N-[[4-(benzylcarbamoyl)phenyl]carbamothioyl]-5-bromo-2-methoxybenzamide
CID 28640143
5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide
CID 17296371

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methoxybenzamide (CID 17229681) is 5-bromo-N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methoxybenzamide is CCN(C(=O)c1ccc(NC(=O)c2cc(Br)ccc2OC)cc1)c1ccccc1.
What is the InChIKey of 5-bromo-N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methoxybenzamide?
The InChIKey is YMCZLRHHGBWRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O3/c1-3-26(19-7-5-4-6-8-19)23(28)16-9-12-18(13-10-16)25-22(27)20-15-17(24)11-14-21(20)29-2/h4-15H,3H2,1-2H3,(H,25,27).
What are the key properties of 5-bromo-N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methoxybenzamide?
5-bromo-N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methoxybenzamide has a molecular weight of 453.34 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 17229681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).