5-(1-aminocyclohexyl)-7-chloro-1,3-dihydroindol-2-one

C14H17ClN2O — CID 117416260

IUPAC5-(1-aminocyclohexyl)-7-chloro-1,3-dihydroindol-2-one
SMILESNC1(c2cc(Cl)c3c(c2)CC(=O)N3)CCCCC1
InChIInChI=1S/C14H17ClN2O/c15-11-8-10(14(16)4-2-1-3-5-14)6-9-7-12(18)17-13(9)11/h6,8H,1-5,7,16H2,(H,17,18)
InChIKeyPHBPMULIQUBHHV-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.95
Rot. Bonds1

About 5-(1-aminocyclohexyl)-7-chloro-1,3-dihydroindol-2-one

5-(1-aminocyclohexyl)-7-chloro-1,3-dihydroindol-2-one (PubChem CID 117416260) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 5-(1-aminocyclohexyl)-7-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-aminocyclohexyl)-7-chloro-1,3-dihydroindol-2-one
PubChem CID117416260
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name5-(1-aminocyclohexyl)-7-chloro-1,3-dihydroindol-2-one
SMILESNC1(c2cc(Cl)c3c(c2)CC(=O)N3)CCCCC1
InChIInChI=1S/C14H17ClN2O/c15-11-8-10(14(16)4-2-1-3-5-14)6-9-7-12(18)17-13(9)11/h6,8H,1-5,7,16H2,(H,17,18)
InChIKeyPHBPMULIQUBHHV-UHFFFAOYSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)acetonitrile
CID 84779277
1-(3,4-dichlorophenyl)cycloheptan-1-amine
CID 43164287
7-chloro-5-(3,5-dichloro-4-pyridinyl)-1,3-dihydroindol-2-one
CID 122655698
5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one
CID 159953490
5-(1-aminocyclohexyl)-3-chloro-2-fluorophenol
CID 84802250
1-(3-chloro-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117356600
1-(7-chloro-3-methyl-1H-indol-5-yl)cyclohexan-1-amine
CID 117411581
1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117387617
4-(1-aminocyclohexyl)-2-chloro-6-(trifluoromethyl)phenol
CID 117473837
1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine
CID 84789567
1-(3-chloro-4-cyclopropylphenyl)cyclopentan-1-amine
CID 117344068
1-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 117114663

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclohexyl)-7-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-aminocyclohexyl)-7-chloro-1,3-dihydroindol-2-one (CID 117416260) is 5-(1-aminocyclohexyl)-7-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-aminocyclohexyl)-7-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-aminocyclohexyl)-7-chloro-1,3-dihydroindol-2-one is NC1(c2cc(Cl)c3c(c2)CC(=O)N3)CCCCC1.
What is the InChIKey of 5-(1-aminocyclohexyl)-7-chloro-1,3-dihydroindol-2-one?
The InChIKey is PHBPMULIQUBHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-11-8-10(14(16)4-2-1-3-5-14)6-9-7-12(18)17-13(9)11/h6,8H,1-5,7,16H2,(H,17,18).
What are the key properties of 5-(1-aminocyclohexyl)-7-chloro-1,3-dihydroindol-2-one?
5-(1-aminocyclohexyl)-7-chloro-1,3-dihydroindol-2-one has a molecular weight of 264.76 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclohexyl)-7-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 117416260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).