5-bromo-2-butoxy-N-[2-(dimethylcarbamoyl)phenyl]benzamide

C20H23BrN2O3 — CID 17350057

IUPAC5-bromo-2-butoxy-N-[2-(dimethylcarbamoyl)phenyl]benzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)N(C)C
InChIInChI=1S/C20H23BrN2O3/c1-4-5-12-26-18-11-10-14(21)13-16(18)19(24)22-17-9-7-6-8-15(17)20(25)23(2)3/h6-11,13H,4-5,12H2,1-3H3,(H,22,24)
InChIKeyFRGSVMBIINWGLK-UHFFFAOYSA-N
MW419.32 g/mol
LogP4.58
Rot. Bonds7

About 5-bromo-2-butoxy-N-[2-(dimethylcarbamoyl)phenyl]benzamide

5-bromo-2-butoxy-N-[2-(dimethylcarbamoyl)phenyl]benzamide (PubChem CID 17350057) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is 5-bromo-2-butoxy-N-[2-(dimethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-butoxy-N-[2-(dimethylcarbamoyl)phenyl]benzamide
PubChem CID17350057
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Name5-bromo-2-butoxy-N-[2-(dimethylcarbamoyl)phenyl]benzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)N(C)C
InChIInChI=1S/C20H23BrN2O3/c1-4-5-12-26-18-11-10-14(21)13-16(18)19(24)22-17-9-7-6-8-15(17)20(25)23(2)3/h6-11,13H,4-5,12H2,1-3H3,(H,22,24)
InChIKeyFRGSVMBIINWGLK-UHFFFAOYSA-N
XLogP4.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 54.58
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-butoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 17350044
5-bromo-2-butoxy-N-[2-(cyclohexylcarbamoyl)phenyl]benzamide
CID 17350012
5-bromo-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-2-propoxybenzamide
CID 17351509
5-bromo-2-butoxy-N-(2,3-dimethylphenyl)benzamide
CID 17350009
5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
CID 17357318
3-bromo-N-[2-(dimethylcarbamoyl)phenyl]-4-hexoxybenzamide
CID 4959553
5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131495
N-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-5-bromo-2-butoxybenzamide
CID 17350497
2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid
CID 54855912
3-bromo-N-[2-(dimethylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17342801
5-bromo-2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17350054
5-bromo-2-butoxy-N-[(2-carbamoylphenyl)carbamothioyl]benzamide
CID 17350375

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-butoxy-N-[2-(dimethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-butoxy-N-[2-(dimethylcarbamoyl)phenyl]benzamide (CID 17350057) is 5-bromo-2-butoxy-N-[2-(dimethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-butoxy-N-[2-(dimethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-butoxy-N-[2-(dimethylcarbamoyl)phenyl]benzamide is CCCCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)N(C)C.
What is the InChIKey of 5-bromo-2-butoxy-N-[2-(dimethylcarbamoyl)phenyl]benzamide?
The InChIKey is FRGSVMBIINWGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-4-5-12-26-18-11-10-14(21)13-16(18)19(24)22-17-9-7-6-8-15(17)20(25)23(2)3/h6-11,13H,4-5,12H2,1-3H3,(H,22,24).
What are the key properties of 5-bromo-2-butoxy-N-[2-(dimethylcarbamoyl)phenyl]benzamide?
5-bromo-2-butoxy-N-[2-(dimethylcarbamoyl)phenyl]benzamide has a molecular weight of 419.32 g/mol, XLogP of 4.58, 7 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-[2-(dimethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 17350057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).