2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-5-methylphenyl]acetamide

C25H28ClNO — CID 123675940

IUPAC2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-5-methylphenyl]acetamide
SMILESCc1ccc2c(c1)CC(c1ccc(C)cc1NC(=O)CCl)=C2C1CCCCC1
InChIInChI=1S/C25H28ClNO/c1-16-8-10-20-19(12-16)14-22(25(20)18-6-4-3-5-7-18)21-11-9-17(2)13-23(21)27-24(28)15-26/h8-13,18H,3-7,14-15H2,1-2H3,(H,27,28)
InChIKeyABOSIOTVJVGZFG-UHFFFAOYSA-N
MW393.96 g/mol
LogP6.53
Rot. Bonds4

About 2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-5-methylphenyl]acetamide

2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-5-methylphenyl]acetamide (PubChem CID 123675940) has the molecular formula C25H28ClNO and a molecular weight of 393.96 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-5-methylphenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-5-methylphenyl]acetamide
PubChem CID123675940
Molecular FormulaC25H28ClNO
Molecular Weight393.96 g/mol
Exact Mass393.19
IUPAC Name2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-5-methylphenyl]acetamide
SMILESCc1ccc2c(c1)CC(c1ccc(C)cc1NC(=O)CCl)=C2C1CCCCC1
InChIInChI=1S/C25H28ClNO/c1-16-8-10-20-19(12-16)14-22(25(20)18-6-4-3-5-7-18)21-11-9-17(2)13-23(21)27-24(28)15-26/h8-13,18H,3-7,14-15H2,1-2H3,(H,27,28)
InChIKeyABOSIOTVJVGZFG-UHFFFAOYSA-N
XLogP6.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.96
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

carbon dioxide;2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]acetamide
CID 123446442
2-chloro-N-(5-methyl-2-piperidin-1-ylphenyl)acetamide
CID 45371722
2-[2-[(2-chloroacetyl)amino]-4-methylphenyl]-3-cyclohexyl-3a-methyl-1,4-dihydroindole-6-sulfinic acid
CID 143093961
N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide
CID 131913766
2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide
CID 23513422
carbon dioxide;2-[2-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]ethoxy]oxane
CID 123777573
2-chloro-N-(2-fluoro-4-methylphenyl)acetamide
CID 2497550
3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 113116404
3-chloro-N-[2-(3-chloropropanoylamino)-4-methylphenyl]propanamide
CID 3509027
N-(2-bromo-5-methylphenyl)-3-cyclopentylpropanamide
CID 82757064
3-cyclopentyl-N-(2-hydroxy-4-methylphenyl)propanamide
CID 7979725
(2S)-2-(cyclohexylazaniumyl)-4-(2,5-dimethylanilino)-4-oxobutanoate
CID 7166279

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-5-methylphenyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-5-methylphenyl]acetamide (CID 123675940) is 2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-5-methylphenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-5-methylphenyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-5-methylphenyl]acetamide is Cc1ccc2c(c1)CC(c1ccc(C)cc1NC(=O)CCl)=C2C1CCCCC1.
What is the InChIKey of 2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-5-methylphenyl]acetamide?
The InChIKey is ABOSIOTVJVGZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClNO/c1-16-8-10-20-19(12-16)14-22(25(20)18-6-4-3-5-7-18)21-11-9-17(2)13-23(21)27-24(28)15-26/h8-13,18H,3-7,14-15H2,1-2H3,(H,27,28).
What are the key properties of 2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-5-methylphenyl]acetamide?
2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-5-methylphenyl]acetamide has a molecular weight of 393.96 g/mol, XLogP of 6.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-5-methylphenyl]acetamide is sourced from PubChem (CID 123675940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).