6-chloro-5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one

C16H13ClFNO2 — CID 81480901

IUPAC6-chloro-5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
SMILESCc1cccc(C(O)c2cc3c(cc2Cl)NC(=O)C3)c1F
InChIInChI=1S/C16H13ClFNO2/c1-8-3-2-4-10(15(8)18)16(21)11-5-9-6-14(20)19-13(9)7-12(11)17/h2-5,7,16,21H,6H2,1H3,(H,19,20)
InChIKeyZNQZXMMWWDOZIT-UHFFFAOYSA-N
MW305.74 g/mol
LogP3.36
Rot. Bonds2

About 6-chloro-5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one

6-chloro-5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one (PubChem CID 81480901) has the molecular formula C16H13ClFNO2 and a molecular weight of 305.74 g/mol. Its IUPAC name is 6-chloro-5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
PubChem CID81480901
Molecular FormulaC16H13ClFNO2
Molecular Weight305.74 g/mol
Exact Mass305.06
IUPAC Name6-chloro-5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
SMILESCc1cccc(C(O)c2cc3c(cc2Cl)NC(=O)C3)c1F
InChIInChI=1S/C16H13ClFNO2/c1-8-3-2-4-10(15(8)18)16(21)11-5-9-6-14(20)19-13(9)7-12(11)17/h2-5,7,16,21H,6H2,1H3,(H,19,20)
InChIKeyZNQZXMMWWDOZIT-UHFFFAOYSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-5-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 63210472
5-[(2-bromophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one
CID 61082666
6-chloro-5-[chloro-(2,3-difluorophenyl)methyl]-1,3-dihydroindol-2-one
CID 62660055
6-chloro-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 61081464
6-chloro-5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 55050628
5-[amino-(2-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 81477151
5-[bromo-(2,3-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63443106
5-[amino-(2-chloro-6-fluorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457610
6-chloro-5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydroindol-2-one
CID 61082063
6-chloro-5-methyl-1,3-dihydroindol-2-one;ethane
CID 144928829
5-[amino-(3-chloro-4-methylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63194843
5-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one
CID 107955565

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one (CID 81480901) is 6-chloro-5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one is Cc1cccc(C(O)c2cc3c(cc2Cl)NC(=O)C3)c1F.
What is the InChIKey of 6-chloro-5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one?
The InChIKey is ZNQZXMMWWDOZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO2/c1-8-3-2-4-10(15(8)18)16(21)11-5-9-6-14(20)19-13(9)7-12(11)17/h2-5,7,16,21H,6H2,1H3,(H,19,20).
What are the key properties of 6-chloro-5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one?
6-chloro-5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one has a molecular weight of 305.74 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 81480901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).