5-bromo-2-butoxy-N-[(4-methoxyphenyl)methyl]benzamide

C19H22BrNO3 — CID 17230348

IUPAC5-bromo-2-butoxy-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C19H22BrNO3/c1-3-4-11-24-18-10-7-15(20)12-17(18)19(22)21-13-14-5-8-16(23-2)9-6-14/h5-10,12H,3-4,11,13H2,1-2H3,(H,21,22)
InChIKeyOYWNNTYEXKNQJF-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.57
Rot. Bonds8

About 5-bromo-2-butoxy-N-[(4-methoxyphenyl)methyl]benzamide

5-bromo-2-butoxy-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 17230348) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 5-bromo-2-butoxy-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-butoxy-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID17230348
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name5-bromo-2-butoxy-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C19H22BrNO3/c1-3-4-11-24-18-10-7-15(20)12-17(18)19(22)21-13-14-5-8-16(23-2)9-6-14/h5-10,12H,3-4,11,13H2,1-2H3,(H,21,22)
InChIKeyOYWNNTYEXKNQJF-UHFFFAOYSA-N
XLogP4.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.57
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-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17230351
5-bromo-2-butoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 54776790
5-bromo-2-(2-methoxyethoxy)-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide
CID 17230582
5-bromo-N-[3-[(5-bromo-2-butoxybenzoyl)amino]propyl]-2-butoxybenzamide
CID 17350650
5-bromo-2-butoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide
CID 43911267
5-bromo-N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-2-hexoxybenzamide
CID 46762654
5-bromo-2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 2214920
N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 39971385
3-bromo-4-butoxy-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide
CID 17230563
5-bromo-2-hexoxy-N-[(4-methoxyphenyl)carbamothioyl]benzamide
CID 17343609
N-benzyl-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046109
5-bromo-N-hexadecyl-2-propoxybenzamide
CID 17351360

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-butoxy-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 5-bromo-2-butoxy-N-[(4-methoxyphenyl)methyl]benzamide (CID 17230348) is 5-bromo-2-butoxy-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-butoxy-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-butoxy-N-[(4-methoxyphenyl)methyl]benzamide is CCCCOc1ccc(Br)cc1C(=O)NCc1ccc(OC)cc1.
What is the InChIKey of 5-bromo-2-butoxy-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is OYWNNTYEXKNQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-3-4-11-24-18-10-7-15(20)12-17(18)19(22)21-13-14-5-8-16(23-2)9-6-14/h5-10,12H,3-4,11,13H2,1-2H3,(H,21,22).
What are the key properties of 5-bromo-2-butoxy-N-[(4-methoxyphenyl)methyl]benzamide?
5-bromo-2-butoxy-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 392.29 g/mol, XLogP of 4.57, 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-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 17230348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).