N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C20H18FN3O2 — CID 55891126

IUPACN-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3ccc4c(c3)CCO4)cc2F)n1
InChIInChI=1S/C20H18FN3O2/c1-12-9-13(2)24(23-12)18-5-4-16(11-17(18)21)22-20(25)15-3-6-19-14(10-15)7-8-26-19/h3-6,9-11H,7-8H2,1-2H3,(H,22,25)
InChIKeyIENLMZFXYTZBMH-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.82
Rot. Bonds3

About N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 55891126) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID55891126
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3ccc4c(c3)CCO4)cc2F)n1
InChIInChI=1S/C20H18FN3O2/c1-12-9-13(2)24(23-12)18-5-4-16(11-17(18)21)22-20(25)15-3-6-19-14(10-15)7-8-26-19/h3-6,9-11H,7-8H2,1-2H3,(H,22,25)
InChIKeyIENLMZFXYTZBMH-UHFFFAOYSA-N
XLogP3.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(3,5-dimethylpyrazol-1-yl)-3-fluoroanilino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 55949657
N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46412653
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71893209
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 55892665
N-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 38559127
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 146125638
3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylbenzamide
CID 79466753
N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160884
2-cyclopropyl-2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]acetic acid
CID 119213295
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110426437
N-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110693454
N-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)benzamide
CID 38558648

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 55891126) is N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2,3-dihydro-1-benzofuran-5-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)c3ccc4c(c3)CCO4)cc2F)n1.
What is the InChIKey of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is IENLMZFXYTZBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-12-9-13(2)24(23-12)18-5-4-16(11-17(18)21)22-20(25)15-3-6-19-14(10-15)7-8-26-19/h3-6,9-11H,7-8H2,1-2H3,(H,22,25).
What are the key properties of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 55891126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).