N-(3-benzamidophenyl)-5-bromo-2-ethoxybenzamide

C22H19BrN2O3 — CID 17234910

IUPACN-(3-benzamidophenyl)-5-bromo-2-ethoxybenzamide
SMILESCCOc1ccc(Br)cc1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H19BrN2O3/c1-2-28-20-12-11-16(23)13-19(20)22(27)25-18-10-6-9-17(14-18)24-21(26)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyFHJQEKSSFBZJRQ-UHFFFAOYSA-N
MW439.31 g/mol
LogP5.35
Rot. Bonds6

About N-(3-benzamidophenyl)-5-bromo-2-ethoxybenzamide

N-(3-benzamidophenyl)-5-bromo-2-ethoxybenzamide (PubChem CID 17234910) has the molecular formula C22H19BrN2O3 and a molecular weight of 439.31 g/mol. Its IUPAC name is N-(3-benzamidophenyl)-5-bromo-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(3-benzamidophenyl)-5-bromo-2-ethoxybenzamide
PubChem CID17234910
Molecular FormulaC22H19BrN2O3
Molecular Weight439.31 g/mol
Exact Mass438.06
IUPAC NameN-(3-benzamidophenyl)-5-bromo-2-ethoxybenzamide
SMILESCCOc1ccc(Br)cc1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H19BrN2O3/c1-2-28-20-12-11-16(23)13-19(20)22(27)25-18-10-6-9-17(14-18)24-21(26)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyFHJQEKSSFBZJRQ-UHFFFAOYSA-N
XLogP5.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.31
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromo-2-ethoxybenzoyl)amino]benzoic acid
CID 1026604
N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide
CID 17234918
5-bromo-2-ethoxy-N-[3-[ethyl(phenyl)carbamoyl]phenyl]benzamide
CID 17222029
N-[(3-benzamidophenyl)carbamothioyl]-5-bromo-2-hexoxybenzamide
CID 17235186
2-[3-[(5-bromo-2-ethoxybenzoyl)amino]phenoxy]acetate
CID 9323999
5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propoxybenzamide
CID 26164769
5-bromo-N-(3-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17098212
5-bromo-2-ethoxy-N-(3-hexoxyphenyl)benzamide
CID 17094854
N-(3-acetamidophenyl)-5-bromo-2-butoxybenzamide
CID 17189847
5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-ethoxybenzamide
CID 1026563
2-ethoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
CID 1228354
5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-2-propoxybenzamide
CID 26159081

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamidophenyl)-5-bromo-2-ethoxybenzamide?
The IUPAC name of N-(3-benzamidophenyl)-5-bromo-2-ethoxybenzamide (CID 17234910) is N-(3-benzamidophenyl)-5-bromo-2-ethoxybenzamide.
What is the SMILES notation for N-(3-benzamidophenyl)-5-bromo-2-ethoxybenzamide?
The canonical SMILES for N-(3-benzamidophenyl)-5-bromo-2-ethoxybenzamide is CCOc1ccc(Br)cc1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-(3-benzamidophenyl)-5-bromo-2-ethoxybenzamide?
The InChIKey is FHJQEKSSFBZJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O3/c1-2-28-20-12-11-16(23)13-19(20)22(27)25-18-10-6-9-17(14-18)24-21(26)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-(3-benzamidophenyl)-5-bromo-2-ethoxybenzamide?
N-(3-benzamidophenyl)-5-bromo-2-ethoxybenzamide has a molecular weight of 439.31 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamidophenyl)-5-bromo-2-ethoxybenzamide is sourced from PubChem (CID 17234910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).