5-bromo-2-(2-methoxyethoxy)-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide

C24H23BrN2O4 — CID 17252356

IUPAC5-bromo-2-(2-methoxyethoxy)-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide
SMILESCOCCOc1ccc(Br)cc1C(=O)Nc1ccc(NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C24H23BrN2O4/c1-16-4-3-5-17(14-16)23(28)26-19-7-9-20(10-8-19)27-24(29)21-15-18(25)6-11-22(21)31-13-12-30-2/h3-11,14-15H,12-13H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyQYVMSSKOQQOAKB-UHFFFAOYSA-N
MW483.36 g/mol
LogP5.29
Rot. Bonds8

About 5-bromo-2-(2-methoxyethoxy)-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide

5-bromo-2-(2-methoxyethoxy)-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide (PubChem CID 17252356) has the molecular formula C24H23BrN2O4 and a molecular weight of 483.36 g/mol. Its IUPAC name is 5-bromo-2-(2-methoxyethoxy)-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-(2-methoxyethoxy)-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide
PubChem CID17252356
Molecular FormulaC24H23BrN2O4
Molecular Weight483.36 g/mol
Exact Mass482.08
IUPAC Name5-bromo-2-(2-methoxyethoxy)-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide
SMILESCOCCOc1ccc(Br)cc1C(=O)Nc1ccc(NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C24H23BrN2O4/c1-16-4-3-5-17(14-16)23(28)26-19-7-9-20(10-8-19)27-24(29)21-15-18(25)6-11-22(21)31-13-12-30-2/h3-11,14-15H,12-13H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyQYVMSSKOQQOAKB-UHFFFAOYSA-N
XLogP5.29
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 ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propoxybenzamide
CID 26164769
N-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide
CID 17357157
N-[4-[[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]-3-methylbenzamide
CID 17046394
N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylbenzamide
CID 17357383
5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-2-propoxybenzamide
CID 26159081
5-bromo-N-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 17351189
5-bromo-2-(2-methoxyethoxy)-N-[(4-methylphenyl)carbamothioyl]benzamide
CID 17357499
5-bromo-N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide
CID 17357254
5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 26164799
5-bromo-2-(2-methoxyethoxy)-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide
CID 17227875
5-bromo-2-hexoxy-N'-(3-methylbenzoyl)benzohydrazide
CID 17343478
5-bromo-2-(2-methoxyethoxy)-N-[4-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 43887620

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methoxyethoxy)-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide?
The IUPAC name of 5-bromo-2-(2-methoxyethoxy)-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide (CID 17252356) is 5-bromo-2-(2-methoxyethoxy)-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-(2-methoxyethoxy)-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 5-bromo-2-(2-methoxyethoxy)-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide is COCCOc1ccc(Br)cc1C(=O)Nc1ccc(NC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of 5-bromo-2-(2-methoxyethoxy)-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide?
The InChIKey is QYVMSSKOQQOAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O4/c1-16-4-3-5-17(14-16)23(28)26-19-7-9-20(10-8-19)27-24(29)21-15-18(25)6-11-22(21)31-13-12-30-2/h3-11,14-15H,12-13H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 5-bromo-2-(2-methoxyethoxy)-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide?
5-bromo-2-(2-methoxyethoxy)-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide has a molecular weight of 483.36 g/mol, XLogP of 5.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methoxyethoxy)-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 17252356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).