6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one;N-propan-2-ylacetamide

C26H32Cl2N2O2 — CID 143373595

IUPAC6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one;N-propan-2-ylacetamide
SMILESCC(=O)NC(C)C.O=C1Nc2cc(Cl)ccc2C1(Cc1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C21H21Cl2NO.C5H11NO/c22-16-8-4-5-14(11-16)13-21(15-6-2-1-3-7-15)18-10-9-17(23)12-19(18)24-20(21)25;1-4(2)6-5(3)7/h4-5,8-12,15H,1-3,6-7,13H2,(H,24,25);4H,1-3H3,(H,6,7)
InChIKeyOCRLZULLXOJBGY-UHFFFAOYSA-N
MW475.46 g/mol
LogP6.54
Rot. Bonds4

About 6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one;N-propan-2-ylacetamide

6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one;N-propan-2-ylacetamide (PubChem CID 143373595) has the molecular formula C26H32Cl2N2O2 and a molecular weight of 475.46 g/mol. Its IUPAC name is 6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one;N-propan-2-ylacetamide.

Molecular Properties

Compound Name6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one;N-propan-2-ylacetamide
PubChem CID143373595
Molecular FormulaC26H32Cl2N2O2
Molecular Weight475.46 g/mol
Exact Mass474.18
IUPAC Name6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one;N-propan-2-ylacetamide
SMILESCC(=O)NC(C)C.O=C1Nc2cc(Cl)ccc2C1(Cc1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C21H21Cl2NO.C5H11NO/c22-16-8-4-5-14(11-16)13-21(15-6-2-1-3-7-15)18-10-9-17(23)12-19(18)24-20(21)25;1-4(2)6-5(3)7/h4-5,8-12,15H,1-3,6-7,13H2,(H,24,25);4H,1-3H3,(H,6,7)
InChIKeyOCRLZULLXOJBGY-UHFFFAOYSA-N
XLogP6.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.46
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butylacetamide;6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one
CID 143373593
6-chloro-3-[(3-chlorophenyl)methyl]-3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1H-indol-2-one
CID 11998151
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-cyclohexyl-4-methylpentanamide
CID 66991650
3-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-(6-chloro-3-pyridinyl)piperidine-1-carboxamide
CID 11998894
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cycloheptylamino]acetic acid
CID 57479159
2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]anilino]-N-propan-2-ylacetamide
CID 68565540
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-pentan-3-ylamino]-N-cyclohexylacetamide
CID 57479231
2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclobutyl]amino]-N-cyclohexylacetamide
CID 68565830
(2R)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methylbutanoic acid
CID 66991920
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]ethylcarbamic acid;cyclobutane
CID 68562707
6-chloro-3-[(3-chlorophenyl)methyl]-3-(2-methylpyrrolidin-1-yl)-1H-indol-2-one
CID 24950916
2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]cyclohexyl]amino]-N-cyclobutylacetamide
CID 68567306

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one;N-propan-2-ylacetamide?
The IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one;N-propan-2-ylacetamide (CID 143373595) is 6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one;N-propan-2-ylacetamide.
What is the SMILES notation for 6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one;N-propan-2-ylacetamide?
The canonical SMILES for 6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one;N-propan-2-ylacetamide is CC(=O)NC(C)C.O=C1Nc2cc(Cl)ccc2C1(Cc1cccc(Cl)c1)C1CCCCC1.
What is the InChIKey of 6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one;N-propan-2-ylacetamide?
The InChIKey is OCRLZULLXOJBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2NO.C5H11NO/c22-16-8-4-5-14(11-16)13-21(15-6-2-1-3-7-15)18-10-9-17(23)12-19(18)24-20(21)25;1-4(2)6-5(3)7/h4-5,8-12,15H,1-3,6-7,13H2,(H,24,25);4H,1-3H3,(H,6,7).
What are the key properties of 6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one;N-propan-2-ylacetamide?
6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one;N-propan-2-ylacetamide has a molecular weight of 475.46 g/mol, XLogP of 6.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one;N-propan-2-ylacetamide is sourced from PubChem (CID 143373595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).