5-bromo-2-[6-(4-fluorophenoxy)-3-pyridinyl]-6-hydrazinyl-N-methyl-1-benzofuran-3-carboxamide

C21H16BrFN4O3 — CID 163903304

IUPAC5-bromo-2-[6-(4-fluorophenoxy)-3-pyridinyl]-6-hydrazinyl-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(Oc3ccc(F)cc3)nc2)oc2cc(NN)c(Br)cc12
InChIInChI=1S/C21H16BrFN4O3/c1-25-21(28)19-14-8-15(22)16(27-24)9-17(14)30-20(19)11-2-7-18(26-10-11)29-13-5-3-12(23)4-6-13/h2-10,27H,24H2,1H3,(H,25,28)
InChIKeySUUQEQHDPAAYHG-UHFFFAOYSA-N
MW471.29 g/mol
LogP4.83
Rot. Bonds5

About 5-bromo-2-[6-(4-fluorophenoxy)-3-pyridinyl]-6-hydrazinyl-N-methyl-1-benzofuran-3-carboxamide

5-bromo-2-[6-(4-fluorophenoxy)-3-pyridinyl]-6-hydrazinyl-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 163903304) has the molecular formula C21H16BrFN4O3 and a molecular weight of 471.29 g/mol. Its IUPAC name is 5-bromo-2-[6-(4-fluorophenoxy)-3-pyridinyl]-6-hydrazinyl-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-[6-(4-fluorophenoxy)-3-pyridinyl]-6-hydrazinyl-N-methyl-1-benzofuran-3-carboxamide
PubChem CID163903304
Molecular FormulaC21H16BrFN4O3
Molecular Weight471.29 g/mol
Exact Mass470.04
IUPAC Name5-bromo-2-[6-(4-fluorophenoxy)-3-pyridinyl]-6-hydrazinyl-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(Oc3ccc(F)cc3)nc2)oc2cc(NN)c(Br)cc12
InChIInChI=1S/C21H16BrFN4O3/c1-25-21(28)19-14-8-15(22)16(27-24)9-17(14)30-20(19)11-2-7-18(26-10-11)29-13-5-3-12(23)4-6-13/h2-10,27H,24H2,1H3,(H,25,28)
InChIKeySUUQEQHDPAAYHG-UHFFFAOYSA-N
XLogP4.83
TPSA102.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.29
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(4-fluorophenyl)-6-(methylamino)-3-(methylcarbamoyl)-1-benzofuran-5-yl]boronic acid
CID 144679662
6-ethoxy-2-(4-fluorophenyl)-N,5-dimethyl-1-benzofuran-3-carboxamide
CID 118682835
5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-[6-(4-fluorophenoxy)-3-pyridinyl]-N-methyl-6-[methyl(sulfanyl)amino]-1-benzofuran-3-carboxamide;methanol
CID 144679884
5-bromo-2-(4-fluorophenyl)-N-methyl-6-(3-morpholin-4-ylpropylsulfonylamino)-1-benzofuran-3-carboxamide
CID 67394929
5-acetyl-2-(4-fluorophenyl)-N,6-dimethyl-1-benzofuran-3-carboxamide
CID 70800629
2-(4-bromophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
CID 10316448
3-amino-5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid
CID 143956974
tert-butyl N-[3-[[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]oxy]propyl]carbamate
CID 59275350
[2-(4-fluorophenyl)-6-(methanesulfonamido)-3-(methylcarbamoyl)-1-benzofuran-5-yl] trifluoromethanesulfonate
CID 87539422
5-(3-carbamoylphenyl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 59275770
2-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid
CID 59275666
5-bromo-N-methyl-6-(methylamino)-2-(2-methylpyrazol-3-yl)-1-benzofuran-3-carboxamide
CID 90341110

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[6-(4-fluorophenoxy)-3-pyridinyl]-6-hydrazinyl-N-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 5-bromo-2-[6-(4-fluorophenoxy)-3-pyridinyl]-6-hydrazinyl-N-methyl-1-benzofuran-3-carboxamide (CID 163903304) is 5-bromo-2-[6-(4-fluorophenoxy)-3-pyridinyl]-6-hydrazinyl-N-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-bromo-2-[6-(4-fluorophenoxy)-3-pyridinyl]-6-hydrazinyl-N-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-bromo-2-[6-(4-fluorophenoxy)-3-pyridinyl]-6-hydrazinyl-N-methyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(Oc3ccc(F)cc3)nc2)oc2cc(NN)c(Br)cc12.
What is the InChIKey of 5-bromo-2-[6-(4-fluorophenoxy)-3-pyridinyl]-6-hydrazinyl-N-methyl-1-benzofuran-3-carboxamide?
The InChIKey is SUUQEQHDPAAYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrFN4O3/c1-25-21(28)19-14-8-15(22)16(27-24)9-17(14)30-20(19)11-2-7-18(26-10-11)29-13-5-3-12(23)4-6-13/h2-10,27H,24H2,1H3,(H,25,28).
What are the key properties of 5-bromo-2-[6-(4-fluorophenoxy)-3-pyridinyl]-6-hydrazinyl-N-methyl-1-benzofuran-3-carboxamide?
5-bromo-2-[6-(4-fluorophenoxy)-3-pyridinyl]-6-hydrazinyl-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 471.29 g/mol, XLogP of 4.83, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[6-(4-fluorophenoxy)-3-pyridinyl]-6-hydrazinyl-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163903304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).