N-(3-acetamidophenyl)-5-bromo-2-butoxybenzamide

C19H21BrN2O3 — CID 17189847

IUPACN-(3-acetamidophenyl)-5-bromo-2-butoxybenzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C19H21BrN2O3/c1-3-4-10-25-18-9-8-14(20)11-17(18)19(24)22-16-7-5-6-15(12-16)21-13(2)23/h5-9,11-12H,3-4,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyAXKFXORSOWQENV-UHFFFAOYSA-N
MW405.29 g/mol
LogP4.84
Rot. Bonds7

About N-(3-acetamidophenyl)-5-bromo-2-butoxybenzamide

N-(3-acetamidophenyl)-5-bromo-2-butoxybenzamide (PubChem CID 17189847) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-5-bromo-2-butoxybenzamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-5-bromo-2-butoxybenzamide
PubChem CID17189847
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC NameN-(3-acetamidophenyl)-5-bromo-2-butoxybenzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C19H21BrN2O3/c1-3-4-10-25-18-9-8-14(20)11-17(18)19(24)22-16-7-5-6-15(12-16)21-13(2)23/h5-9,11-12H,3-4,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyAXKFXORSOWQENV-UHFFFAOYSA-N
XLogP4.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidophenyl)-5-bromo-2-hexoxybenzamide
CID 17189846
N-(3-acetamidophenyl)-2-butoxybenzamide
CID 17189815
5-bromo-2-butoxy-N-[3-(tert-butylcarbamoyl)phenyl]benzamide
CID 28639499
5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide
CID 17344071
5-bromo-N-(3-fluorophenyl)-2-propoxybenzamide
CID 54788444
5-bromo-2-butoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 26161701
N-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide
CID 17357157
5-bromo-2-ethoxy-N-(3-hexoxyphenyl)benzamide
CID 17094854
5-bromo-2-butoxy-N-(4-hexoxyphenyl)benzamide
CID 17350069
5-bromo-2-butoxy-N-[3-[methyl(phenyl)carbamoyl]phenyl]benzamide
CID 17227864
5-bromo-2-butoxy-N-[(3-methylphenyl)carbamothioyl]benzamide
CID 17350349
5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propoxybenzamide
CID 26164769

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-5-bromo-2-butoxybenzamide?
The IUPAC name of N-(3-acetamidophenyl)-5-bromo-2-butoxybenzamide (CID 17189847) is N-(3-acetamidophenyl)-5-bromo-2-butoxybenzamide.
What is the SMILES notation for N-(3-acetamidophenyl)-5-bromo-2-butoxybenzamide?
The canonical SMILES for N-(3-acetamidophenyl)-5-bromo-2-butoxybenzamide is CCCCOc1ccc(Br)cc1C(=O)Nc1cccc(NC(C)=O)c1.
What is the InChIKey of N-(3-acetamidophenyl)-5-bromo-2-butoxybenzamide?
The InChIKey is AXKFXORSOWQENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-3-4-10-25-18-9-8-14(20)11-17(18)19(24)22-16-7-5-6-15(12-16)21-13(2)23/h5-9,11-12H,3-4,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-acetamidophenyl)-5-bromo-2-butoxybenzamide?
N-(3-acetamidophenyl)-5-bromo-2-butoxybenzamide has a molecular weight of 405.29 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-5-bromo-2-butoxybenzamide is sourced from PubChem (CID 17189847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).