2-[(3-chlorophenyl)methyl]-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

C19H18ClN3O2 — CID 45106491

IUPAC2-[(3-chlorophenyl)methyl]-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
SMILESCNC(=O)c1oc2c(c1C)-c1nn(Cc3cccc(Cl)c3)cc1CC2
InChIInChI=1S/C19H18ClN3O2/c1-11-16-15(25-18(11)19(24)21-2)7-6-13-10-23(22-17(13)16)9-12-4-3-5-14(20)8-12/h3-5,8,10H,6-7,9H2,1-2H3,(H,21,24)
InChIKeyRLEWRJOUIVGZBP-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.61
Rot. Bonds3

About 2-[(3-chlorophenyl)methyl]-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

2-[(3-chlorophenyl)methyl]-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (PubChem CID 45106491) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
PubChem CID45106491
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name2-[(3-chlorophenyl)methyl]-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
SMILESCNC(=O)c1oc2c(c1C)-c1nn(Cc3cccc(Cl)c3)cc1CC2
InChIInChI=1S/C19H18ClN3O2/c1-11-16-15(25-18(11)19(24)21-2)7-6-13-10-23(22-17(13)16)9-12-4-3-5-14(20)8-12/h3-5,8,10H,6-7,9H2,1-2H3,(H,21,24)
InChIKeyRLEWRJOUIVGZBP-UHFFFAOYSA-N
XLogP3.61
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (CID 45106491) is 2-[(3-chlorophenyl)methyl]-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is CNC(=O)c1oc2c(c1C)-c1nn(Cc3cccc(Cl)c3)cc1CC2.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The InChIKey is RLEWRJOUIVGZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-11-16-15(25-18(11)19(24)21-2)7-6-13-10-23(22-17(13)16)9-12-4-3-5-14(20)8-12/h3-5,8,10H,6-7,9H2,1-2H3,(H,21,24).
What are the key properties of 2-[(3-chlorophenyl)methyl]-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
2-[(3-chlorophenyl)methyl]-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is sourced from PubChem (CID 45106491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).