1-benzyl-3-nitrosoindol-2-ol;5-fluoro-1-[(4-fluorophenyl)methyl]-3-nitrosoindol-2-ol

C30H22F2N4O4 — CID 161156786

IUPAC1-benzyl-3-nitrosoindol-2-ol;5-fluoro-1-[(4-fluorophenyl)methyl]-3-nitrosoindol-2-ol
SMILESO=Nc1c(O)n(Cc2ccc(F)cc2)c2ccc(F)cc12.O=Nc1c(O)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C15H10F2N2O2.C15H12N2O2/c16-10-3-1-9(2-4-10)8-19-13-6-5-11(17)7-12(13)14(18-21)15(19)20;18-15-14(16-19)12-8-4-5-9-13(12)17(15)10-11-6-2-1-3-7-11/h1-7,20H,8H2;1-9,18H,10H2
InChIKeyIKSSMPOYVSWOPZ-UHFFFAOYSA-N
MW540.53 g/mol
LogP7.86
Rot. Bonds6

About 1-benzyl-3-nitrosoindol-2-ol;5-fluoro-1-[(4-fluorophenyl)methyl]-3-nitrosoindol-2-ol

1-benzyl-3-nitrosoindol-2-ol;5-fluoro-1-[(4-fluorophenyl)methyl]-3-nitrosoindol-2-ol (PubChem CID 161156786) has the molecular formula C30H22F2N4O4 and a molecular weight of 540.53 g/mol. Its IUPAC name is 1-benzyl-3-nitrosoindol-2-ol;5-fluoro-1-[(4-fluorophenyl)methyl]-3-nitrosoindol-2-ol.

Molecular Properties

Compound Name1-benzyl-3-nitrosoindol-2-ol;5-fluoro-1-[(4-fluorophenyl)methyl]-3-nitrosoindol-2-ol
PubChem CID161156786
Molecular FormulaC30H22F2N4O4
Molecular Weight540.53 g/mol
Exact Mass540.16
IUPAC Name1-benzyl-3-nitrosoindol-2-ol;5-fluoro-1-[(4-fluorophenyl)methyl]-3-nitrosoindol-2-ol
SMILESO=Nc1c(O)n(Cc2ccc(F)cc2)c2ccc(F)cc12.O=Nc1c(O)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C15H10F2N2O2.C15H12N2O2/c16-10-3-1-9(2-4-10)8-19-13-6-5-11(17)7-12(13)14(18-21)15(19)20;18-15-14(16-19)12-8-4-5-9-13(12)17(15)10-11-6-2-1-3-7-11/h1-7,20H,8H2;1-9,18H,10H2
InChIKeyIKSSMPOYVSWOPZ-UHFFFAOYSA-N
XLogP7.86
TPSA109.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.53
LogP ≤ 57.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3-nitrosoindol-2-ol
CID 2142444
[1-[(4-fluorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea
CID 767162
1-[(3-benzylphenyl)methyl]-5-chloro-3-nitrosoindol-2-ol
CID 136505223
1-benzyl-3-nitrosoindol-2-ol;1-[(2-nitrophenyl)methyl]-3-nitrosoindol-2-ol
CID 157445350
9-benzyl-6-fluorocarbazol-4-ol
CID 18671696
1-benzyl-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol
CID 4989962
1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-nitrosoindol-2-ol
CID 135574983
1-(4-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]-2-hydroxyindol-3-yl]iminothiourea
CID 3604671
5-chloro-1-[(2-fluorophenyl)methyl]-3-nitrosoindol-2-ol;5-chloro-1-[(3-fluorophenyl)methyl]-3-nitrosoindol-2-ol;5-chloro-1-[(3-methylphenyl)methyl]-3-nitrosoindol-2-ol;5-chloro-1-[(2-nitrophenyl)methyl]-3-nitrosoindol-2-ol
CID 158635465
N-(1-benzyl-2-hydroxyindol-3-yl)imino-5-chloro-2-hydroxybenzamide
CID 3532404
1-[(4-fluorophenyl)methyl]-3-hydroxyquinazoline-2,4-dione
CID 52936428
4-amino-N-(1-benzyl-2-hydroxyindol-3-yl)iminobenzamide
CID 2642096

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-nitrosoindol-2-ol;5-fluoro-1-[(4-fluorophenyl)methyl]-3-nitrosoindol-2-ol?
The IUPAC name of 1-benzyl-3-nitrosoindol-2-ol;5-fluoro-1-[(4-fluorophenyl)methyl]-3-nitrosoindol-2-ol (CID 161156786) is 1-benzyl-3-nitrosoindol-2-ol;5-fluoro-1-[(4-fluorophenyl)methyl]-3-nitrosoindol-2-ol.
What is the SMILES notation for 1-benzyl-3-nitrosoindol-2-ol;5-fluoro-1-[(4-fluorophenyl)methyl]-3-nitrosoindol-2-ol?
The canonical SMILES for 1-benzyl-3-nitrosoindol-2-ol;5-fluoro-1-[(4-fluorophenyl)methyl]-3-nitrosoindol-2-ol is O=Nc1c(O)n(Cc2ccc(F)cc2)c2ccc(F)cc12.O=Nc1c(O)n(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzyl-3-nitrosoindol-2-ol;5-fluoro-1-[(4-fluorophenyl)methyl]-3-nitrosoindol-2-ol?
The InChIKey is IKSSMPOYVSWOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2.C15H12N2O2/c16-10-3-1-9(2-4-10)8-19-13-6-5-11(17)7-12(13)14(18-21)15(19)20;18-15-14(16-19)12-8-4-5-9-13(12)17(15)10-11-6-2-1-3-7-11/h1-7,20H,8H2;1-9,18H,10H2.
What are the key properties of 1-benzyl-3-nitrosoindol-2-ol;5-fluoro-1-[(4-fluorophenyl)methyl]-3-nitrosoindol-2-ol?
1-benzyl-3-nitrosoindol-2-ol;5-fluoro-1-[(4-fluorophenyl)methyl]-3-nitrosoindol-2-ol has a molecular weight of 540.53 g/mol, XLogP of 7.86, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-nitrosoindol-2-ol;5-fluoro-1-[(4-fluorophenyl)methyl]-3-nitrosoindol-2-ol is sourced from PubChem (CID 161156786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).