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

C15H11BrClFN2O — CID 43254866

IUPAC3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-3H-indol-2-one
SMILESNC1C(=O)N(Cc2ccc(F)c(Br)c2)c2ccc(Cl)cc21
InChIInChI=1S/C15H11BrClFN2O/c16-11-5-8(1-3-12(11)18)7-20-13-4-2-9(17)6-10(13)14(19)15(20)21/h1-6,14H,7,19H2
InChIKeyITLJUUYMCYEHDR-UHFFFAOYSA-N
MW369.62 g/mol
LogP3.79
Rot. Bonds2

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

3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-3H-indol-2-one (PubChem CID 43254866) has the molecular formula C15H11BrClFN2O and a molecular weight of 369.62 g/mol. Its IUPAC name is 3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-3H-indol-2-one
PubChem CID43254866
Molecular FormulaC15H11BrClFN2O
Molecular Weight369.62 g/mol
Exact Mass367.97
IUPAC Name3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-3H-indol-2-one
SMILESNC1C(=O)N(Cc2ccc(F)c(Br)c2)c2ccc(Cl)cc21
InChIInChI=1S/C15H11BrClFN2O/c16-11-5-8(1-3-12(11)18)7-20-13-4-2-9(17)6-10(13)14(19)15(20)21/h1-6,14H,7,19H2
InChIKeyITLJUUYMCYEHDR-UHFFFAOYSA-N
XLogP3.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.62
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-5-chloro-1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 43254913
(3S)-3-amino-5-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one
CID 98081113
3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride
CID 71432564
(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
3-amino-5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]-3H-indol-2-one
CID 43255070
3-amino-6-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one
CID 43255296
3-amino-5-chloro-1-(2-phenylethyl)-3H-indol-2-one
CID 43254915
3-amino-5-chloro-1-(3-hydroxypropyl)-3H-indol-2-one
CID 82237163
1-benzyl-3-[(4-bromophenyl)methyl]-5-chloro-3H-indol-2-one
CID 139259282
5-chloro-1-[(3,4-dimethylphenyl)methyl]-3-methyl-3H-indol-2-one
CID 174209684
1-[(3-bromo-4-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione
CID 54970993

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-3H-indol-2-one?
The IUPAC name of 3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-3H-indol-2-one (CID 43254866) is 3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-3H-indol-2-one.
What is the SMILES notation for 3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-3H-indol-2-one?
The canonical SMILES for 3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-3H-indol-2-one is NC1C(=O)N(Cc2ccc(F)c(Br)c2)c2ccc(Cl)cc21.
What is the InChIKey of 3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-3H-indol-2-one?
The InChIKey is ITLJUUYMCYEHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFN2O/c16-11-5-8(1-3-12(11)18)7-20-13-4-2-9(17)6-10(13)14(19)15(20)21/h1-6,14H,7,19H2.
What are the key properties of 3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-3H-indol-2-one?
3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-3H-indol-2-one has a molecular weight of 369.62 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-3H-indol-2-one is sourced from PubChem (CID 43254866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).