5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propoxybenzamide

C24H23BrN2O3 — CID 26164769

IUPAC5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propoxybenzamide
SMILESCCCOc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C24H23BrN2O3/c1-3-12-30-22-11-10-18(25)15-21(22)24(29)27-20-9-5-7-17(14-20)23(28)26-19-8-4-6-16(2)13-19/h4-11,13-15H,3,12H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyACYGHEAIUUXKRD-UHFFFAOYSA-N
MW467.36 g/mol
LogP6.05
Rot. Bonds7

About 5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propoxybenzamide

5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propoxybenzamide (PubChem CID 26164769) has the molecular formula C24H23BrN2O3 and a molecular weight of 467.36 g/mol. Its IUPAC name is 5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propoxybenzamide
PubChem CID26164769
Molecular FormulaC24H23BrN2O3
Molecular Weight467.36 g/mol
Exact Mass466.09
IUPAC Name5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propoxybenzamide
SMILESCCCOc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C24H23BrN2O3/c1-3-12-30-22-11-10-18(25)15-21(22)24(29)27-20-9-5-7-17(14-20)23(28)26-19-8-4-6-16(2)13-19/h4-11,13-15H,3,12H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyACYGHEAIUUXKRD-UHFFFAOYSA-N
XLogP6.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.36
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-2-propoxybenzamide
CID 26159081
5-bromo-2-(2-methoxyethoxy)-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide
CID 17252356
5-bromo-N-(3-fluorophenyl)-2-propoxybenzamide
CID 54788444
5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 26164799
5-bromo-2-butoxy-N-[3-(tert-butylcarbamoyl)phenyl]benzamide
CID 28639499
N-(3-benzamidophenyl)-5-bromo-2-ethoxybenzamide
CID 17234910
N-(3-acetamidophenyl)-5-bromo-2-butoxybenzamide
CID 17189847
3-[(5-bromo-2-ethoxybenzoyl)amino]benzoic acid
CID 1026604
5-bromo-N-[(3-carbamoylphenyl)carbamothioyl]-2-propoxybenzamide
CID 26161049
5-bromo-2-butoxy-N-[(3-methylphenyl)carbamothioyl]benzamide
CID 17350349
2-ethoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
CID 1228354
5-bromo-2-hexoxy-N'-(3-methylbenzoyl)benzohydrazide
CID 17343478

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propoxybenzamide?
The IUPAC name of 5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propoxybenzamide (CID 26164769) is 5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propoxybenzamide.
What is the SMILES notation for 5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propoxybenzamide?
The canonical SMILES for 5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propoxybenzamide is CCCOc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)Nc2cccc(C)c2)c1.
What is the InChIKey of 5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propoxybenzamide?
The InChIKey is ACYGHEAIUUXKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O3/c1-3-12-30-22-11-10-18(25)15-21(22)24(29)27-20-9-5-7-17(14-20)23(28)26-19-8-4-6-16(2)13-19/h4-11,13-15H,3,12H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propoxybenzamide?
5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propoxybenzamide has a molecular weight of 467.36 g/mol, XLogP of 6.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propoxybenzamide is sourced from PubChem (CID 26164769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).