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

C17H17FN2O — CID 82173237

IUPAC7-[amino-(3-methylphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one
SMILESCc1cccc(C(N)c2cc(F)cc3c2NC(=O)C3C)c1
InChIInChI=1S/C17H17FN2O/c1-9-4-3-5-11(6-9)15(19)14-8-12(18)7-13-10(2)17(21)20-16(13)14/h3-8,10,15H,19H2,1-2H3,(H,20,21)
InChIKeyUNZRTPZRSCQFQX-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.24
Rot. Bonds2

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

7-[amino-(3-methylphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one (PubChem CID 82173237) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 7-[amino-(3-methylphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-[amino-(3-methylphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one
PubChem CID82173237
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name7-[amino-(3-methylphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one
SMILESCc1cccc(C(N)c2cc(F)cc3c2NC(=O)C3C)c1
InChIInChI=1S/C17H17FN2O/c1-9-4-3-5-11(6-9)15(19)14-8-12(18)7-13-10(2)17(21)20-16(13)14/h3-8,10,15H,19H2,1-2H3,(H,20,21)
InChIKeyUNZRTPZRSCQFQX-UHFFFAOYSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-[amino(phenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 82173235
7-[amino(phenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one
CID 82172454
7-[amino-(4-methoxyphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 82173241
7-[amino(phenyl)methyl]-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
CID 82173281
7-[amino-(3-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one
CID 82172665
5-[amino-(3-methylphenyl)methyl]-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173129
5-[amino(phenyl)methyl]-3,7-dimethyl-1,3-dihydroindol-2-one
CID 82172771
7-(1-aminoethyl)-3,5-dimethyl-1,3-dihydroindol-2-one
CID 82172446
5-[amino-(2-methylphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one
CID 82172080
5-[amino-(4-methylphenyl)methyl]-7-chloro-3-methyl-1,3-dihydroindol-2-one
CID 82173718
5-fluoro-7-[hydroxy(oxolan-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one
CID 82173255
7-(1-aminobutyl)-3,5-dimethyl-1,3-dihydroindol-2-one
CID 82172449

Frequently Asked Questions

What is the IUPAC name of 7-[amino-(3-methylphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-[amino-(3-methylphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one (CID 82173237) is 7-[amino-(3-methylphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-[amino-(3-methylphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-[amino-(3-methylphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one is Cc1cccc(C(N)c2cc(F)cc3c2NC(=O)C3C)c1.
What is the InChIKey of 7-[amino-(3-methylphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is UNZRTPZRSCQFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-9-4-3-5-11(6-9)15(19)14-8-12(18)7-13-10(2)17(21)20-16(13)14/h3-8,10,15H,19H2,1-2H3,(H,20,21).
What are the key properties of 7-[amino-(3-methylphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one?
7-[amino-(3-methylphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 284.33 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[amino-(3-methylphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).