3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride

C15H13ClF2N2O — CID 71432564

IUPAC3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride
SMILESCl.NC1C(=O)N(Cc2ccc(F)cc2)c2ccc(F)cc21
InChIInChI=1S/C15H12F2N2O.ClH/c16-10-3-1-9(2-4-10)8-19-13-6-5-11(17)7-12(13)14(18)15(19)20;/h1-7,14H,8,18H2;1H
InChIKeyODIYRDLPLASPOO-UHFFFAOYSA-N
MW310.73 g/mol
LogP2.93
Rot. Bonds2

About 3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride

3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride (PubChem CID 71432564) has the molecular formula C15H13ClF2N2O and a molecular weight of 310.73 g/mol. Its IUPAC name is 3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride.

Molecular Properties

Compound Name3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride
PubChem CID71432564
Molecular FormulaC15H13ClF2N2O
Molecular Weight310.73 g/mol
Exact Mass310.07
IUPAC Name3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride
SMILESCl.NC1C(=O)N(Cc2ccc(F)cc2)c2ccc(F)cc21
InChIInChI=1S/C15H12F2N2O.ClH/c16-10-3-1-9(2-4-10)8-19-13-6-5-11(17)7-12(13)14(18)15(19)20;/h1-7,14H,8,18H2;1H
InChIKeyODIYRDLPLASPOO-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-1-[(3,4-dichlorophenyl)methyl]-5-fluoro-3H-indol-2-one
CID 51441524
(3S)-3-amino-1-[(4-fluorophenyl)methyl]-5-methyl-3H-indol-2-one
CID 99644340
(3S)-3-amino-5-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one
CID 98081113
3-amino-6-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one
CID 43255296
3-amino-6-fluoro-1-(pyridin-4-ylmethyl)-3H-indol-2-one
CID 43255112
3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-3H-indol-2-one
CID 43254866
3-amino-5-chloro-1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 43254913
3-amino-5-fluoro-1-octyl-3H-indol-2-one
CID 43254783
3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one
CID 43254825
2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 43254745
2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 43254761
3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one;hydrochloride
CID 71432476

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride?
The IUPAC name of 3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride (CID 71432564) is 3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride.
What is the SMILES notation for 3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride?
The canonical SMILES for 3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride is Cl.NC1C(=O)N(Cc2ccc(F)cc2)c2ccc(F)cc21.
What is the InChIKey of 3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride?
The InChIKey is ODIYRDLPLASPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O.ClH/c16-10-3-1-9(2-4-10)8-19-13-6-5-11(17)7-12(13)14(18)15(19)20;/h1-7,14H,8,18H2;1H.
What are the key properties of 3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride?
3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride has a molecular weight of 310.73 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride is sourced from PubChem (CID 71432564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).