5-fluoro-3-(4-iodo-2-methylanilino)-1,3-dihydroindol-2-one

C15H12FIN2O — CID 43717053

IUPAC5-fluoro-3-(4-iodo-2-methylanilino)-1,3-dihydroindol-2-one
SMILESCc1cc(I)ccc1NC1C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C15H12FIN2O/c1-8-6-10(17)3-5-12(8)18-14-11-7-9(16)2-4-13(11)19-15(14)20/h2-7,14,18H,1H3,(H,19,20)
InChIKeyDVPJETPWJYELKS-UHFFFAOYSA-N
MW382.18 g/mol
LogP3.84
Rot. Bonds2

About 5-fluoro-3-(4-iodo-2-methylanilino)-1,3-dihydroindol-2-one

5-fluoro-3-(4-iodo-2-methylanilino)-1,3-dihydroindol-2-one (PubChem CID 43717053) has the molecular formula C15H12FIN2O and a molecular weight of 382.18 g/mol. Its IUPAC name is 5-fluoro-3-(4-iodo-2-methylanilino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-(4-iodo-2-methylanilino)-1,3-dihydroindol-2-one
PubChem CID43717053
Molecular FormulaC15H12FIN2O
Molecular Weight382.18 g/mol
Exact Mass382.00
IUPAC Name5-fluoro-3-(4-iodo-2-methylanilino)-1,3-dihydroindol-2-one
SMILESCc1cc(I)ccc1NC1C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C15H12FIN2O/c1-8-6-10(17)3-5-12(8)18-14-11-7-9(16)2-4-13(11)19-15(14)20/h2-7,14,18H,1H3,(H,19,20)
InChIKeyDVPJETPWJYELKS-UHFFFAOYSA-N
XLogP3.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.18
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-3-(5-fluoro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43195478
5-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one
CID 43124316
6-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one
CID 43124339
3-(3,5-difluoroanilino)-5-fluoro-1,3-dihydroindol-2-one
CID 43196036
3-(2,4-dimethylanilino)-1,3-dihydroindol-2-one
CID 43189774
3-(4-chloro-2-methylanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43201943
5-fluoro-3-(naphthalen-1-ylamino)-1,3-dihydroindol-2-one
CID 43824875
5-fluoro-3-(4-hydroxyanilino)-1,3-dihydroindol-2-one
CID 43742739
5-fluoro-3-[(2-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one
CID 43721837
5-fluoro-3-(2,4,6-tribromoanilino)-1,3-dihydroindol-2-one
CID 43126295
3-(5-bromo-2-methylanilino)-6-fluoro-1,3-dihydroindol-2-one
CID 43729652
5-fluoro-3-(1H-indazol-7-ylamino)-1,3-dihydroindol-2-one
CID 43730925

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(4-iodo-2-methylanilino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-(4-iodo-2-methylanilino)-1,3-dihydroindol-2-one (CID 43717053) is 5-fluoro-3-(4-iodo-2-methylanilino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-(4-iodo-2-methylanilino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-(4-iodo-2-methylanilino)-1,3-dihydroindol-2-one is Cc1cc(I)ccc1NC1C(=O)Nc2ccc(F)cc21.
What is the InChIKey of 5-fluoro-3-(4-iodo-2-methylanilino)-1,3-dihydroindol-2-one?
The InChIKey is DVPJETPWJYELKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FIN2O/c1-8-6-10(17)3-5-12(8)18-14-11-7-9(16)2-4-13(11)19-15(14)20/h2-7,14,18H,1H3,(H,19,20).
What are the key properties of 5-fluoro-3-(4-iodo-2-methylanilino)-1,3-dihydroindol-2-one?
5-fluoro-3-(4-iodo-2-methylanilino)-1,3-dihydroindol-2-one has a molecular weight of 382.18 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(4-iodo-2-methylanilino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43717053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).