5-[5-[cyclopropyl(pyridazin-3-yl)carbamoyl]-4-methoxy-2-methylphenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

C32H27FN4O4 — CID 67382300

IUPAC5-[5-[cyclopropyl(pyridazin-3-yl)carbamoyl]-4-methoxy-2-methylphenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)N(c4cccnn4)C4CC4)c(OC)cc3C)cc12
InChIInChI=1S/C32H27FN4O4/c1-18-15-27(40-3)25(32(39)37(22-11-12-22)28-5-4-14-35-36-28)17-23(18)20-8-13-26-24(16-20)29(31(38)34-2)30(41-26)19-6-9-21(33)10-7-19/h4-10,13-17,22H,11-12H2,1-3H3,(H,34,38)
InChIKeyCDNAVCGSVUOVCR-UHFFFAOYSA-N
MW550.59 g/mol
LogP6.18
Rot. Bonds7

About 5-[5-[cyclopropyl(pyridazin-3-yl)carbamoyl]-4-methoxy-2-methylphenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

5-[5-[cyclopropyl(pyridazin-3-yl)carbamoyl]-4-methoxy-2-methylphenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 67382300) has the molecular formula C32H27FN4O4 and a molecular weight of 550.59 g/mol. Its IUPAC name is 5-[5-[cyclopropyl(pyridazin-3-yl)carbamoyl]-4-methoxy-2-methylphenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[5-[cyclopropyl(pyridazin-3-yl)carbamoyl]-4-methoxy-2-methylphenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
PubChem CID67382300
Molecular FormulaC32H27FN4O4
Molecular Weight550.59 g/mol
Exact Mass550.20
IUPAC Name5-[5-[cyclopropyl(pyridazin-3-yl)carbamoyl]-4-methoxy-2-methylphenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)N(c4cccnn4)C4CC4)c(OC)cc3C)cc12
InChIInChI=1S/C32H27FN4O4/c1-18-15-27(40-3)25(32(39)37(22-11-12-22)28-5-4-14-35-36-28)17-23(18)20-8-13-26-24(16-20)29(31(38)34-2)30(41-26)19-6-9-21(33)10-7-19/h4-10,13-17,22H,11-12H2,1-3H3,(H,34,38)
InChIKeyCDNAVCGSVUOVCR-UHFFFAOYSA-N
XLogP6.18
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.59
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-[cyclopropyl-(5-methylpyrimidin-2-yl)carbamoyl]-4-methoxy-2-methylphenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 67382432
2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 53468028
5-[5-[cyclopropyl(pyrimidin-4-yl)carbamoyl]-2-methylphenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 67382502
5-[5-[2-[1-(4,6-dimethylpyrimidin-2-yl)cyclopropyl]acetyl]-4-methoxy-2-methylphenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 58472494
5-[4-(2-chlorophenyl)-3-[cyclopropyl(pyridin-2-yl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 67211123
5-[4-cyclobutyloxy-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 58472870
2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)carbamoyl]cyclopropyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 59505161
methyl 2-(2-chlorophenyl)-5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]-4-methylbenzoate
CID 59275495
5-[2-(2-amino-2-oxoethoxy)-4-methoxy-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 59275469
methyl 5-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]-2-methoxy-4-methylbenzoate
CID 59275657
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-methylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 143956964
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(pyrazin-2-ylmethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 58472485

Frequently Asked Questions

What is the IUPAC name of 5-[5-[cyclopropyl(pyridazin-3-yl)carbamoyl]-4-methoxy-2-methylphenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 5-[5-[cyclopropyl(pyridazin-3-yl)carbamoyl]-4-methoxy-2-methylphenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide (CID 67382300) is 5-[5-[cyclopropyl(pyridazin-3-yl)carbamoyl]-4-methoxy-2-methylphenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-[5-[cyclopropyl(pyridazin-3-yl)carbamoyl]-4-methoxy-2-methylphenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-[5-[cyclopropyl(pyridazin-3-yl)carbamoyl]-4-methoxy-2-methylphenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)N(c4cccnn4)C4CC4)c(OC)cc3C)cc12.
What is the InChIKey of 5-[5-[cyclopropyl(pyridazin-3-yl)carbamoyl]-4-methoxy-2-methylphenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
The InChIKey is CDNAVCGSVUOVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27FN4O4/c1-18-15-27(40-3)25(32(39)37(22-11-12-22)28-5-4-14-35-36-28)17-23(18)20-8-13-26-24(16-20)29(31(38)34-2)30(41-26)19-6-9-21(33)10-7-19/h4-10,13-17,22H,11-12H2,1-3H3,(H,34,38).
What are the key properties of 5-[5-[cyclopropyl(pyridazin-3-yl)carbamoyl]-4-methoxy-2-methylphenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
5-[5-[cyclopropyl(pyridazin-3-yl)carbamoyl]-4-methoxy-2-methylphenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 550.59 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[cyclopropyl(pyridazin-3-yl)carbamoyl]-4-methoxy-2-methylphenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 67382300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).