2-(4-chlorobenzoyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide

C24H27ClN2O3 — CID 86962081

IUPAC2-(4-chlorobenzoyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide
SMILESCC(C)NC(=O)C1CCCC(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H27ClN2O3/c1-15(2)26-23(29)17-6-5-7-19(14-17)27-24(30)21-9-4-3-8-20(21)22(28)16-10-12-18(25)13-11-16/h3-4,8-13,15,17,19H,5-7,14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyDGUYOHPTVCLARA-UHFFFAOYSA-N
MW426.94 g/mol
LogP4.38
Rot. Bonds6

About 2-(4-chlorobenzoyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide

2-(4-chlorobenzoyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide (PubChem CID 86962081) has the molecular formula C24H27ClN2O3 and a molecular weight of 426.94 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide
PubChem CID86962081
Molecular FormulaC24H27ClN2O3
Molecular Weight426.94 g/mol
Exact Mass426.17
IUPAC Name2-(4-chlorobenzoyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide
SMILESCC(C)NC(=O)C1CCCC(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H27ClN2O3/c1-15(2)26-23(29)17-6-5-7-19(14-17)27-24(30)21-9-4-3-8-20(21)22(28)16-10-12-18(25)13-11-16/h3-4,8-13,15,17,19H,5-7,14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyDGUYOHPTVCLARA-UHFFFAOYSA-N
XLogP4.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.94
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide?
The IUPAC name of 2-(4-chlorobenzoyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide (CID 86962081) is 2-(4-chlorobenzoyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide.
What is the SMILES notation for 2-(4-chlorobenzoyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide?
The canonical SMILES for 2-(4-chlorobenzoyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide is CC(C)NC(=O)C1CCCC(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(4-chlorobenzoyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide?
The InChIKey is DGUYOHPTVCLARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O3/c1-15(2)26-23(29)17-6-5-7-19(14-17)27-24(30)21-9-4-3-8-20(21)22(28)16-10-12-18(25)13-11-16/h3-4,8-13,15,17,19H,5-7,14H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 2-(4-chlorobenzoyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide?
2-(4-chlorobenzoyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide has a molecular weight of 426.94 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzoyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide is sourced from PubChem (CID 86962081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).