5-[amino(cyclohexyl)methyl]-7-fluoro-1,3-dihydroindol-2-one

C15H19FN2O — CID 82173516

IUPAC5-[amino(cyclohexyl)methyl]-7-fluoro-1,3-dihydroindol-2-one
SMILESNC(c1cc(F)c2c(c1)CC(=O)N2)C1CCCCC1
InChIInChI=1S/C15H19FN2O/c16-12-7-10(6-11-8-13(19)18-15(11)12)14(17)9-4-2-1-3-5-9/h6-7,9,14H,1-5,8,17H2,(H,18,19)
InChIKeyZXLBEICHECMDKA-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.90
Rot. Bonds2

About 5-[amino(cyclohexyl)methyl]-7-fluoro-1,3-dihydroindol-2-one

5-[amino(cyclohexyl)methyl]-7-fluoro-1,3-dihydroindol-2-one (PubChem CID 82173516) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-[amino(cyclohexyl)methyl]-7-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[amino(cyclohexyl)methyl]-7-fluoro-1,3-dihydroindol-2-one
PubChem CID82173516
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name5-[amino(cyclohexyl)methyl]-7-fluoro-1,3-dihydroindol-2-one
SMILESNC(c1cc(F)c2c(c1)CC(=O)N2)C1CCCCC1
InChIInChI=1S/C15H19FN2O/c16-12-7-10(6-11-8-13(19)18-15(11)12)14(17)9-4-2-1-3-5-9/h6-7,9,14H,1-5,8,17H2,(H,18,19)
InChIKeyZXLBEICHECMDKA-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[amino(cyclohexyl)methyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82173951
7-fluoro-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one
CID 82173521
(R)-cyclohexyl-(3,5-difluorophenyl)methanamine;hydrochloride
CID 171204514
5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457574
7-fluoro-5-propan-2-yloxy-1,3-dihydroindol-2-one
CID 71144685
cyclohexyl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299040
7-[amino(cyclopentyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43342875
7-fluoro-5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydroindol-2-one
CID 82173542
7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 82173545
(S)-(4-bromo-3-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171221330
cyclohexyl-(3,5-dichlorophenyl)methanamine
CID 114981427
(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
CID 39244944

Frequently Asked Questions

What is the IUPAC name of 5-[amino(cyclohexyl)methyl]-7-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[amino(cyclohexyl)methyl]-7-fluoro-1,3-dihydroindol-2-one (CID 82173516) is 5-[amino(cyclohexyl)methyl]-7-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[amino(cyclohexyl)methyl]-7-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[amino(cyclohexyl)methyl]-7-fluoro-1,3-dihydroindol-2-one is NC(c1cc(F)c2c(c1)CC(=O)N2)C1CCCCC1.
What is the InChIKey of 5-[amino(cyclohexyl)methyl]-7-fluoro-1,3-dihydroindol-2-one?
The InChIKey is ZXLBEICHECMDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-12-7-10(6-11-8-13(19)18-15(11)12)14(17)9-4-2-1-3-5-9/h6-7,9,14H,1-5,8,17H2,(H,18,19).
What are the key properties of 5-[amino(cyclohexyl)methyl]-7-fluoro-1,3-dihydroindol-2-one?
5-[amino(cyclohexyl)methyl]-7-fluoro-1,3-dihydroindol-2-one has a molecular weight of 262.33 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(cyclohexyl)methyl]-7-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).