5-bromo-2-(2-methoxyethoxy)-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide

C24H23BrN2O4 — CID 17227875

IUPAC5-bromo-2-(2-methoxyethoxy)-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide
SMILESCOCCOc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C24H23BrN2O4/c1-27(20-9-4-3-5-10-20)24(29)17-7-6-8-19(15-17)26-23(28)21-16-18(25)11-12-22(21)31-14-13-30-2/h3-12,15-16H,13-14H2,1-2H3,(H,26,28)
InChIKeyUNOOHINJSSLLMR-UHFFFAOYSA-N
MW483.36 g/mol
LogP5.00
Rot. Bonds8

About 5-bromo-2-(2-methoxyethoxy)-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide

5-bromo-2-(2-methoxyethoxy)-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide (PubChem CID 17227875) has the molecular formula C24H23BrN2O4 and a molecular weight of 483.36 g/mol. Its IUPAC name is 5-bromo-2-(2-methoxyethoxy)-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-(2-methoxyethoxy)-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide
PubChem CID17227875
Molecular FormulaC24H23BrN2O4
Molecular Weight483.36 g/mol
Exact Mass482.08
IUPAC Name5-bromo-2-(2-methoxyethoxy)-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide
SMILESCOCCOc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C24H23BrN2O4/c1-27(20-9-4-3-5-10-20)24(29)17-7-6-8-19(15-17)26-23(28)21-16-18(25)11-12-22(21)31-14-13-30-2/h3-12,15-16H,13-14H2,1-2H3,(H,26,28)
InChIKeyUNOOHINJSSLLMR-UHFFFAOYSA-N
XLogP5.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.36
LogP ≤ 55.00
H-Bond Donors ≤ 51
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-2-butoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide
CID 17227864
5-bromo-N-[3-[methyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 17227881
5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17231903
5-bromo-2-ethoxy-N-[3-[ethyl(phenyl)carbamoyl]phenyl]benzamide
CID 17222029
5-bromo-N-[3-(diethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17194642
5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
CID 17222040
5-bromo-2-(2-methoxyethoxy)-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide
CID 17252356
N-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide
CID 17357157
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
N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide
CID 17234918

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methoxyethoxy)-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 5-bromo-2-(2-methoxyethoxy)-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide (CID 17227875) is 5-bromo-2-(2-methoxyethoxy)-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-(2-methoxyethoxy)-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 5-bromo-2-(2-methoxyethoxy)-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide is COCCOc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1.
What is the InChIKey of 5-bromo-2-(2-methoxyethoxy)-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide?
The InChIKey is UNOOHINJSSLLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O4/c1-27(20-9-4-3-5-10-20)24(29)17-7-6-8-19(15-17)26-23(28)21-16-18(25)11-12-22(21)31-14-13-30-2/h3-12,15-16H,13-14H2,1-2H3,(H,26,28).
What are the key properties of 5-bromo-2-(2-methoxyethoxy)-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide?
5-bromo-2-(2-methoxyethoxy)-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide has a molecular weight of 483.36 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methoxyethoxy)-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 17227875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).