(3R)-3-amino-1-[(3,4-dichlorophenyl)methyl]-5-fluoro-3H-indol-2-one

C15H11Cl2FN2O — CID 51441524

IUPAC(3R)-3-amino-1-[(3,4-dichlorophenyl)methyl]-5-fluoro-3H-indol-2-one
SMILESN[C@H]1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(F)cc21
InChIInChI=1S/C15H11Cl2FN2O/c16-11-3-1-8(5-12(11)17)7-20-13-4-2-9(18)6-10(13)14(19)15(20)21/h1-6,14H,7,19H2/t14-/m1/s1
InChIKeyLYEKXSSHKAJMOF-CQSZACIVSA-N
MW325.17 g/mol
LogP3.68
Rot. Bonds2

About (3R)-3-amino-1-[(3,4-dichlorophenyl)methyl]-5-fluoro-3H-indol-2-one

(3R)-3-amino-1-[(3,4-dichlorophenyl)methyl]-5-fluoro-3H-indol-2-one (PubChem CID 51441524) has the molecular formula C15H11Cl2FN2O and a molecular weight of 325.17 g/mol. Its IUPAC name is (3R)-3-amino-1-[(3,4-dichlorophenyl)methyl]-5-fluoro-3H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-amino-1-[(3,4-dichlorophenyl)methyl]-5-fluoro-3H-indol-2-one
PubChem CID51441524
Molecular FormulaC15H11Cl2FN2O
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name(3R)-3-amino-1-[(3,4-dichlorophenyl)methyl]-5-fluoro-3H-indol-2-one
SMILESN[C@H]1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(F)cc21
InChIInChI=1S/C15H11Cl2FN2O/c16-11-3-1-8(5-12(11)17)7-20-13-4-2-9(18)6-10(13)14(19)15(20)21/h1-6,14H,7,19H2/t14-/m1/s1
InChIKeyLYEKXSSHKAJMOF-CQSZACIVSA-N
XLogP3.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 53.68
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
(3S)-3-amino-5-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one
CID 98081113
(3S)-3-amino-1-[(4-fluorophenyl)methyl]-5-methyl-3H-indol-2-one
CID 99644340
3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-3H-indol-2-one
CID 43254866
3-amino-6-fluoro-1-(pyridin-4-ylmethyl)-3H-indol-2-one
CID 43255112
1-[(3,4-dichlorophenyl)methyl]-5-fluoro-2,3-dihydroindol-3-amine;dihydrochloride
CID 76853797
3-amino-5-chloro-1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 43254913
3-amino-6-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one
CID 43255296
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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-[(3,4-dichlorophenyl)methyl]-5-fluoro-3H-indol-2-one?
The IUPAC name of (3R)-3-amino-1-[(3,4-dichlorophenyl)methyl]-5-fluoro-3H-indol-2-one (CID 51441524) is (3R)-3-amino-1-[(3,4-dichlorophenyl)methyl]-5-fluoro-3H-indol-2-one.
What is the SMILES notation for (3R)-3-amino-1-[(3,4-dichlorophenyl)methyl]-5-fluoro-3H-indol-2-one?
The canonical SMILES for (3R)-3-amino-1-[(3,4-dichlorophenyl)methyl]-5-fluoro-3H-indol-2-one is N[C@H]1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(F)cc21.
What is the InChIKey of (3R)-3-amino-1-[(3,4-dichlorophenyl)methyl]-5-fluoro-3H-indol-2-one?
The InChIKey is LYEKXSSHKAJMOF-CQSZACIVSA-N. The full InChI is InChI=1S/C15H11Cl2FN2O/c16-11-3-1-8(5-12(11)17)7-20-13-4-2-9(18)6-10(13)14(19)15(20)21/h1-6,14H,7,19H2/t14-/m1/s1.
What are the key properties of (3R)-3-amino-1-[(3,4-dichlorophenyl)methyl]-5-fluoro-3H-indol-2-one?
(3R)-3-amino-1-[(3,4-dichlorophenyl)methyl]-5-fluoro-3H-indol-2-one has a molecular weight of 325.17 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-[(3,4-dichlorophenyl)methyl]-5-fluoro-3H-indol-2-one is sourced from PubChem (CID 51441524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).