carbon dioxide;2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]acetamide

C25H26ClNO3 — CID 123446442

IUPACcarbon dioxide;2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]acetamide
SMILESCc1ccc2c(c1)CC(c1ccccc1NC(=O)CCl)=C2C1CCCCC1.O=C=O
InChIInChI=1S/C24H26ClNO.CO2/c1-16-11-12-19-18(13-16)14-21(24(19)17-7-3-2-4-8-17)20-9-5-6-10-22(20)26-23(27)15-25;2-1-3/h5-6,9-13,17H,2-4,7-8,14-15H2,1H3,(H,26,27);
InChIKeyOAPCLFHEKHXYTD-UHFFFAOYSA-N
MW423.94 g/mol
LogP5.64
Rot. Bonds4

About carbon dioxide;2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]acetamide

carbon dioxide;2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]acetamide (PubChem CID 123446442) has the molecular formula C25H26ClNO3 and a molecular weight of 423.94 g/mol. Its IUPAC name is carbon dioxide;2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]acetamide.

Molecular Properties

Compound Namecarbon dioxide;2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]acetamide
PubChem CID123446442
Molecular FormulaC25H26ClNO3
Molecular Weight423.94 g/mol
Exact Mass423.16
IUPAC Namecarbon dioxide;2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]acetamide
SMILESCc1ccc2c(c1)CC(c1ccccc1NC(=O)CCl)=C2C1CCCCC1.O=C=O
InChIInChI=1S/C24H26ClNO.CO2/c1-16-11-12-19-18(13-16)14-21(24(19)17-7-3-2-4-8-17)20-9-5-6-10-22(20)26-23(27)15-25;2-1-3/h5-6,9-13,17H,2-4,7-8,14-15H2,1H3,(H,26,27);
InChIKeyOAPCLFHEKHXYTD-UHFFFAOYSA-N
XLogP5.64
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.94
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)-5-methylphenyl]acetamide
CID 123675940
carbon dioxide;2-[2-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]ethoxy]oxane
CID 123777573
2-chloro-N-(5-methyl-2-piperidin-1-ylphenyl)acetamide
CID 45371722
carbon dioxide;3-cyclohexyl-6-methyl-1H-indene
CID 123321986
2-chloro-N-(2-phenylphenyl)acetamide
CID 1129350
2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide
CID 23513422
2-[2-[(2-chloroacetyl)amino]-4-methylphenyl]-3-cyclohexyl-3a-methyl-1,4-dihydroindole-6-sulfinic acid
CID 143093961
tert-butyl 19-cyclohexyl-15-methyl-9,12-diazatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-9-carboxylate;bis(carbon dioxide);2-[[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl methanesulfonate
CID 157361659
2-chloro-N-(2-fluoro-4-methylphenyl)acetamide
CID 2497550
2-chloro-N-[2-(4-phenylphenyl)phenyl]acetamide
CID 175267400
4-cyclohexyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 56813876
N-[2-[(4R)-azepan-4-yl]phenyl]-2-chloroacetamide
CID 124638804

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]acetamide?
The IUPAC name of carbon dioxide;2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]acetamide (CID 123446442) is carbon dioxide;2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]acetamide.
What is the SMILES notation for carbon dioxide;2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]acetamide?
The canonical SMILES for carbon dioxide;2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]acetamide is Cc1ccc2c(c1)CC(c1ccccc1NC(=O)CCl)=C2C1CCCCC1.O=C=O.
What is the InChIKey of carbon dioxide;2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]acetamide?
The InChIKey is OAPCLFHEKHXYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO.CO2/c1-16-11-12-19-18(13-16)14-21(24(19)17-7-3-2-4-8-17)20-9-5-6-10-22(20)26-23(27)15-25;2-1-3/h5-6,9-13,17H,2-4,7-8,14-15H2,1H3,(H,26,27);.
What are the key properties of carbon dioxide;2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]acetamide?
carbon dioxide;2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]acetamide has a molecular weight of 423.94 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;2-chloro-N-[2-(3-cyclohexyl-6-methyl-1H-inden-2-yl)phenyl]acetamide is sourced from PubChem (CID 123446442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).