N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide

C19H14ClN3O2 — CID 118335351

IUPACN-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccoc1
InChIInChI=1S/C19H14ClN3O2/c20-15-7-5-13(6-8-15)11-23-17-4-2-1-3-16(17)18(22-23)21-19(24)14-9-10-25-12-14/h1-10,12H,11H2,(H,21,22,24)
InChIKeyQVSFJSFDIYVKQE-UHFFFAOYSA-N
MW351.79 g/mol
LogP4.58
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide

N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide (PubChem CID 118335351) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide
PubChem CID118335351
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC NameN-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccoc1
InChIInChI=1S/C19H14ClN3O2/c20-15-7-5-13(6-8-15)11-23-17-4-2-1-3-16(17)18(22-23)21-19(24)14-9-10-25-12-14/h1-10,12H,11H2,(H,21,22,24)
InChIKeyQVSFJSFDIYVKQE-UHFFFAOYSA-N
XLogP4.58
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide (CID 118335351) is N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide is O=C(Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccoc1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide?
The InChIKey is QVSFJSFDIYVKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2/c20-15-7-5-13(6-8-15)11-23-17-4-2-1-3-16(17)18(22-23)21-19(24)14-9-10-25-12-14/h1-10,12H,11H2,(H,21,22,24).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide?
N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide has a molecular weight of 351.79 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 118335351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).