6-chloro-5-(1-methylcyclohexanecarbonyl)-1,3-dihydroindol-2-one

C16H18ClNO2 — CID 106826590

IUPAC6-chloro-5-(1-methylcyclohexanecarbonyl)-1,3-dihydroindol-2-one
SMILESCC1(C(=O)c2cc3c(cc2Cl)NC(=O)C3)CCCCC1
InChIInChI=1S/C16H18ClNO2/c1-16(5-3-2-4-6-16)15(20)11-7-10-8-14(19)18-13(10)9-12(11)17/h7,9H,2-6,8H2,1H3,(H,18,19)
InChIKeyVXMXAEZJRZTHJM-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.99
Rot. Bonds2

About 6-chloro-5-(1-methylcyclohexanecarbonyl)-1,3-dihydroindol-2-one

6-chloro-5-(1-methylcyclohexanecarbonyl)-1,3-dihydroindol-2-one (PubChem CID 106826590) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 6-chloro-5-(1-methylcyclohexanecarbonyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-(1-methylcyclohexanecarbonyl)-1,3-dihydroindol-2-one
PubChem CID106826590
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name6-chloro-5-(1-methylcyclohexanecarbonyl)-1,3-dihydroindol-2-one
SMILESCC1(C(=O)c2cc3c(cc2Cl)NC(=O)C3)CCCCC1
InChIInChI=1S/C16H18ClNO2/c1-16(5-3-2-4-6-16)15(20)11-7-10-8-14(19)18-13(10)9-12(11)17/h7,9H,2-6,8H2,1H3,(H,18,19)
InChIKeyVXMXAEZJRZTHJM-UHFFFAOYSA-N
XLogP3.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-5-(2-chloro-4-methylbenzoyl)-1,3-dihydroindol-2-one
CID 106860794
6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one
CID 3730946
5-(2-amino-5-methylbenzoyl)-6-chloro-1,3-dihydroindol-2-one
CID 65454554
5-(2-bromoacetyl)-6-chloro-1,3-dihydroindol-2-one
CID 10541398
6-chloro-5-(2-cyclohexylacetyl)-1,3-dihydroindol-2-one
CID 43457418
(2-chlorophenyl)-(1-methylcyclohexyl)methanone
CID 22173260
6-chloro-5-(2,4,5-trimethylfuran-3-carbonyl)-1,3-dihydroindol-2-one
CID 65151637
6-chloro-5-(3-chloro-4-iodobenzoyl)-1,3-dihydroindol-2-one
CID 103219673
6-chloro-5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one
CID 43457466
6-chloro-5-(2-chloro-6-fluorobenzoyl)-1,3-dihydroindol-2-one
CID 43457450
5-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-6-chloro-1,3-dihydroindol-2-one
CID 66395714
5-(2-bromofuran-3-carbonyl)-6-chloro-1,3-dihydroindol-2-one
CID 106851318

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(1-methylcyclohexanecarbonyl)-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-(1-methylcyclohexanecarbonyl)-1,3-dihydroindol-2-one (CID 106826590) is 6-chloro-5-(1-methylcyclohexanecarbonyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-(1-methylcyclohexanecarbonyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-(1-methylcyclohexanecarbonyl)-1,3-dihydroindol-2-one is CC1(C(=O)c2cc3c(cc2Cl)NC(=O)C3)CCCCC1.
What is the InChIKey of 6-chloro-5-(1-methylcyclohexanecarbonyl)-1,3-dihydroindol-2-one?
The InChIKey is VXMXAEZJRZTHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-16(5-3-2-4-6-16)15(20)11-7-10-8-14(19)18-13(10)9-12(11)17/h7,9H,2-6,8H2,1H3,(H,18,19).
What are the key properties of 6-chloro-5-(1-methylcyclohexanecarbonyl)-1,3-dihydroindol-2-one?
6-chloro-5-(1-methylcyclohexanecarbonyl)-1,3-dihydroindol-2-one has a molecular weight of 291.78 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(1-methylcyclohexanecarbonyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 106826590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).