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

C16H15FN2O — CID 99644340

IUPAC(3S)-3-amino-1-[(4-fluorophenyl)methyl]-5-methyl-3H-indol-2-one
SMILESCc1ccc2c(c1)[C@H](N)C(=O)N2Cc1ccc(F)cc1
InChIInChI=1S/C16H15FN2O/c1-10-2-7-14-13(8-10)15(18)16(20)19(14)9-11-3-5-12(17)6-4-11/h2-8,15H,9,18H2,1H3/t15-/m0/s1
InChIKeyRXYZERHDRFJWIK-HNNXBMFYSA-N
MW270.31 g/mol
LogP2.68
Rot. Bonds2

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

(3S)-3-amino-1-[(4-fluorophenyl)methyl]-5-methyl-3H-indol-2-one (PubChem CID 99644340) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is (3S)-3-amino-1-[(4-fluorophenyl)methyl]-5-methyl-3H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-[(4-fluorophenyl)methyl]-5-methyl-3H-indol-2-one
PubChem CID99644340
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name(3S)-3-amino-1-[(4-fluorophenyl)methyl]-5-methyl-3H-indol-2-one
SMILESCc1ccc2c(c1)[C@H](N)C(=O)N2Cc1ccc(F)cc1
InChIInChI=1S/C16H15FN2O/c1-10-2-7-14-13(8-10)15(18)16(20)19(14)9-11-3-5-12(17)6-4-11/h2-8,15H,9,18H2,1H3/t15-/m0/s1
InChIKeyRXYZERHDRFJWIK-HNNXBMFYSA-N
XLogP2.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride
CID 71432564
3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one
CID 43254825
(3S)-3-amino-5-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one
CID 98081113
3-amino-5-chloro-1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 43254913
(3R)-3-amino-1-[(3,4-dichlorophenyl)methyl]-5-fluoro-3H-indol-2-one
CID 51441524
3-amino-5-methyl-1-[(2-methylphenyl)methyl]-3H-indol-2-one
CID 43254834
3-amino-6-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one
CID 43255296
3-amino-1-[(5-ethylthiophen-2-yl)methyl]-5-methyl-3H-indol-2-one
CID 43254818
3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-3H-indol-2-one
CID 43254866
3-amino-1-(cyclopentylmethyl)-5-methyl-3H-indol-2-one
CID 114994368
3-amino-1-[2-(diethylamino)ethyl]-5-methyl-3H-indol-2-one
CID 43254795
3-amino-6-fluoro-1-(pyridin-4-ylmethyl)-3H-indol-2-one
CID 43255112

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-[(4-fluorophenyl)methyl]-5-methyl-3H-indol-2-one?
The IUPAC name of (3S)-3-amino-1-[(4-fluorophenyl)methyl]-5-methyl-3H-indol-2-one (CID 99644340) is (3S)-3-amino-1-[(4-fluorophenyl)methyl]-5-methyl-3H-indol-2-one.
What is the SMILES notation for (3S)-3-amino-1-[(4-fluorophenyl)methyl]-5-methyl-3H-indol-2-one?
The canonical SMILES for (3S)-3-amino-1-[(4-fluorophenyl)methyl]-5-methyl-3H-indol-2-one is Cc1ccc2c(c1)[C@H](N)C(=O)N2Cc1ccc(F)cc1.
What is the InChIKey of (3S)-3-amino-1-[(4-fluorophenyl)methyl]-5-methyl-3H-indol-2-one?
The InChIKey is RXYZERHDRFJWIK-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-10-2-7-14-13(8-10)15(18)16(20)19(14)9-11-3-5-12(17)6-4-11/h2-8,15H,9,18H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-3-amino-1-[(4-fluorophenyl)methyl]-5-methyl-3H-indol-2-one?
(3S)-3-amino-1-[(4-fluorophenyl)methyl]-5-methyl-3H-indol-2-one has a molecular weight of 270.31 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-[(4-fluorophenyl)methyl]-5-methyl-3H-indol-2-one is sourced from PubChem (CID 99644340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).