N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide

C20H16ClN3O2 — CID 46948494

IUPACN-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide
SMILESCn1cc(-c2ccc(C(=O)NCc3cccc(Cl)c3)c3occc23)cn1
InChIInChI=1S/C20H16ClN3O2/c1-24-12-14(11-23-24)16-5-6-18(19-17(16)7-8-26-19)20(25)22-10-13-3-2-4-15(21)9-13/h2-9,11-12H,10H2,1H3,(H,22,25)
InChIKeyHTPQRGMHRITCAE-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.42
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide

N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide (PubChem CID 46948494) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide
PubChem CID46948494
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC NameN-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide
SMILESCn1cc(-c2ccc(C(=O)NCc3cccc(Cl)c3)c3occc23)cn1
InChIInChI=1S/C20H16ClN3O2/c1-24-12-14(11-23-24)16-5-6-18(19-17(16)7-8-26-19)20(25)22-10-13-3-2-4-15(21)9-13/h2-9,11-12H,10H2,1H3,(H,22,25)
InChIKeyHTPQRGMHRITCAE-UHFFFAOYSA-N
XLogP4.42
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide (CID 46948494) is N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide is Cn1cc(-c2ccc(C(=O)NCc3cccc(Cl)c3)c3occc23)cn1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide?
The InChIKey is HTPQRGMHRITCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c1-24-12-14(11-23-24)16-5-6-18(19-17(16)7-8-26-19)20(25)22-10-13-3-2-4-15(21)9-13/h2-9,11-12H,10H2,1H3,(H,22,25).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide?
N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide has a molecular weight of 365.82 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide is sourced from PubChem (CID 46948494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).