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

C24H29BrN2O3 — CID 17350012

IUPAC5-bromo-2-butoxy-N-[2-(cyclohexylcarbamoyl)phenyl]benzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C24H29BrN2O3/c1-2-3-15-30-22-14-13-17(25)16-20(22)24(29)27-21-12-8-7-11-19(21)23(28)26-18-9-5-4-6-10-18/h7-8,11-14,16,18H,2-6,9-10,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyIXMDVOVYAXZSHT-UHFFFAOYSA-N
MW473.41 g/mol
LogP5.94
Rot. Bonds8

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

5-bromo-2-butoxy-N-[2-(cyclohexylcarbamoyl)phenyl]benzamide (PubChem CID 17350012) has the molecular formula C24H29BrN2O3 and a molecular weight of 473.41 g/mol. Its IUPAC name is 5-bromo-2-butoxy-N-[2-(cyclohexylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-butoxy-N-[2-(cyclohexylcarbamoyl)phenyl]benzamide
PubChem CID17350012
Molecular FormulaC24H29BrN2O3
Molecular Weight473.41 g/mol
Exact Mass472.14
IUPAC Name5-bromo-2-butoxy-N-[2-(cyclohexylcarbamoyl)phenyl]benzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C24H29BrN2O3/c1-2-3-15-30-22-14-13-17(25)16-20(22)24(29)27-21-12-8-7-11-19(21)23(28)26-18-9-5-4-6-10-18/h7-8,11-14,16,18H,2-6,9-10,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyIXMDVOVYAXZSHT-UHFFFAOYSA-N
XLogP5.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.41
LogP ≤ 55.94
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

5-bromo-2-butoxy-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17350455
5-bromo-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-propoxybenzamide
CID 17352057
5-bromo-2-butoxy-N-[2-(dimethylcarbamoyl)phenyl]benzamide
CID 17350057
5-bromo-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-2-propoxybenzamide
CID 17351509
5-bromo-2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17350054
N-cyclohexyl-2-[(2-ethoxybenzoyl)amino]benzamide
CID 4926381
5-bromo-2-butoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 17350044
2-[(3-butoxybenzoyl)amino]-N-cyclohexylbenzamide
CID 4956533
N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933656
5-bromo-2-butoxy-N-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17170763
5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
CID 17357318
5-bromo-2-butoxy-N-(2,3-dimethylphenyl)benzamide
CID 17350009

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-butoxy-N-[2-(cyclohexylcarbamoyl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-butoxy-N-[2-(cyclohexylcarbamoyl)phenyl]benzamide (CID 17350012) is 5-bromo-2-butoxy-N-[2-(cyclohexylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-butoxy-N-[2-(cyclohexylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-butoxy-N-[2-(cyclohexylcarbamoyl)phenyl]benzamide is CCCCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)NC1CCCCC1.
What is the InChIKey of 5-bromo-2-butoxy-N-[2-(cyclohexylcarbamoyl)phenyl]benzamide?
The InChIKey is IXMDVOVYAXZSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN2O3/c1-2-3-15-30-22-14-13-17(25)16-20(22)24(29)27-21-12-8-7-11-19(21)23(28)26-18-9-5-4-6-10-18/h7-8,11-14,16,18H,2-6,9-10,15H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 5-bromo-2-butoxy-N-[2-(cyclohexylcarbamoyl)phenyl]benzamide?
5-bromo-2-butoxy-N-[2-(cyclohexylcarbamoyl)phenyl]benzamide has a molecular weight of 473.41 g/mol, XLogP of 5.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-butoxy-N-[2-(cyclohexylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 17350012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).