N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C18H16ClN3O2 — CID 91792577

IUPACN-[(4-chloro-1-methylindazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCn1nc(CNC(=O)C2Cc3ccccc3O2)c2c(Cl)cccc21
InChIInChI=1S/C18H16ClN3O2/c1-22-14-7-4-6-12(19)17(14)13(21-22)10-20-18(23)16-9-11-5-2-3-8-15(11)24-16/h2-8,16H,9-10H2,1H3,(H,20,23)
InChIKeyJRAVSXCCSHMDRH-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.85
Rot. Bonds3

About N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 91792577) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-1-methylindazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID91792577
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-[(4-chloro-1-methylindazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCn1nc(CNC(=O)C2Cc3ccccc3O2)c2c(Cl)cccc21
InChIInChI=1S/C18H16ClN3O2/c1-22-14-7-4-6-12(19)17(14)13(21-22)10-20-18(23)16-9-11-5-2-3-8-15(11)24-16/h2-8,16H,9-10H2,1H3,(H,20,23)
InChIKeyJRAVSXCCSHMDRH-UHFFFAOYSA-N
XLogP2.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 91792577) is N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is Cn1nc(CNC(=O)C2Cc3ccccc3O2)c2c(Cl)cccc21.
What is the InChIKey of N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is JRAVSXCCSHMDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-22-14-7-4-6-12(19)17(14)13(21-22)10-20-18(23)16-9-11-5-2-3-8-15(11)24-16/h2-8,16H,9-10H2,1H3,(H,20,23).
What are the key properties of N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 91792577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).