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

C25H25BrN2O3 — CID 17227864

IUPAC5-bromo-2-butoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C25H25BrN2O3/c1-3-4-15-31-23-14-13-19(26)17-22(23)24(29)27-20-10-8-9-18(16-20)25(30)28(2)21-11-6-5-7-12-21/h5-14,16-17H,3-4,15H2,1-2H3,(H,27,29)
InChIKeyWNZXSUNFAPMXCL-UHFFFAOYSA-N
MW481.39 g/mol
LogP6.16
Rot. Bonds8

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

5-bromo-2-butoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide (PubChem CID 17227864) has the molecular formula C25H25BrN2O3 and a molecular weight of 481.39 g/mol. Its IUPAC name is 5-bromo-2-butoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-butoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide
PubChem CID17227864
Molecular FormulaC25H25BrN2O3
Molecular Weight481.39 g/mol
Exact Mass480.10
IUPAC Name5-bromo-2-butoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C25H25BrN2O3/c1-3-4-15-31-23-14-13-19(26)17-22(23)24(29)27-20-10-8-9-18(16-20)25(30)28(2)21-11-6-5-7-12-21/h5-14,16-17H,3-4,15H2,1-2H3,(H,27,29)
InChIKeyWNZXSUNFAPMXCL-UHFFFAOYSA-N
XLogP6.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.39
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(2-methoxyethoxy)-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide
CID 17227875
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
N-(3-acetamidophenyl)-5-bromo-2-butoxybenzamide
CID 17189847
5-bromo-2-butoxy-N-[3-(tert-butylcarbamoyl)phenyl]benzamide
CID 28639499
5-bromo-N-[3-(diethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17194642
N-[4-[[(5-bromo-2-butoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 17350275
5-bromo-2-butoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 26161701
5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
CID 17222040
5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propoxybenzamide
CID 26164769
N-(3-acetamidophenyl)-5-bromo-2-hexoxybenzamide
CID 17189846

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-butoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 5-bromo-2-butoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide (CID 17227864) is 5-bromo-2-butoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-butoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 5-bromo-2-butoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide is CCCCOc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1.
What is the InChIKey of 5-bromo-2-butoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide?
The InChIKey is WNZXSUNFAPMXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2O3/c1-3-4-15-31-23-14-13-19(26)17-22(23)24(29)27-20-10-8-9-18(16-20)25(30)28(2)21-11-6-5-7-12-21/h5-14,16-17H,3-4,15H2,1-2H3,(H,27,29).
What are the key properties of 5-bromo-2-butoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide?
5-bromo-2-butoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide has a molecular weight of 481.39 g/mol, XLogP of 6.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-butoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 17227864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).