5-bromo-2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide

C24H29BrN2O3 — CID 17350054

IUPAC5-bromo-2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C24H29BrN2O3/c1-3-4-15-30-22-10-9-18(25)16-20(22)23(28)26-21-8-6-5-7-19(21)24(29)27-13-11-17(2)12-14-27/h5-10,16-17H,3-4,11-15H2,1-2H3,(H,26,28)
InChIKeySESWAXHBHPBLRV-UHFFFAOYSA-N
MW473.41 g/mol
LogP5.75
Rot. Bonds7

About 5-bromo-2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide

5-bromo-2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide (PubChem CID 17350054) has the molecular formula C24H29BrN2O3 and a molecular weight of 473.41 g/mol. Its IUPAC name is 5-bromo-2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
PubChem CID17350054
Molecular FormulaC24H29BrN2O3
Molecular Weight473.41 g/mol
Exact Mass472.14
IUPAC Name5-bromo-2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C24H29BrN2O3/c1-3-4-15-30-22-10-9-18(25)16-20(22)23(28)26-21-8-6-5-7-19(21)24(29)27-13-11-17(2)12-14-27/h5-10,16-17H,3-4,11-15H2,1-2H3,(H,26,28)
InChIKeySESWAXHBHPBLRV-UHFFFAOYSA-N
XLogP5.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.41
LogP ≤ 55.75
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

2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4941081
5-bromo-2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17357287
5-bromo-2-butoxy-N-[2-(cyclohexylcarbamoyl)phenyl]benzamide
CID 17350012
5-bromo-2-butoxy-N-[2-(dimethylcarbamoyl)phenyl]benzamide
CID 17350057
2-(3-methylbutoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4943602
5-bromo-2-butoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17349990
2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid
CID 54855912
5-bromo-2-butoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 17350044
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-2-butoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 26161701
5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131495

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide (CID 17350054) is 5-bromo-2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide is CCCCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1.
What is the InChIKey of 5-bromo-2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is SESWAXHBHPBLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN2O3/c1-3-4-15-30-22-10-9-18(25)16-20(22)23(28)26-21-8-6-5-7-19(21)24(29)27-13-11-17(2)12-14-27/h5-10,16-17H,3-4,11-15H2,1-2H3,(H,26,28).
What are the key properties of 5-bromo-2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
5-bromo-2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 473.41 g/mol, XLogP of 5.75, 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-(4-methylpiperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 17350054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).