N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide

C24H21ClN4O3 — CID 19459011

About N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide

N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide (PubChem CID 19459011) has the molecular formula C24H21ClN4O3 and a molecular weight of 448.91 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
• PubChem CID: 19459011
• Molecular Formula: C24H21ClN4O3
• Molecular Weight: 448.91 g/mol
• Exact Mass: 448.13
• IUPAC Name: N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
• SMILES: O=C(Nc1ncn(Cc2ccccc2Cl)n1)c1ccc(COc2ccc3c(c2)CCC3)o1
• InChI: InChI=1S/C24H21ClN4O3/c25-21-7-2-1-4-18(21)13-29-15-26-24(28-29)27-23(30)22-11-10-20(32-22)14-31-19-9-8-16-5-3-6-17(16)12-19/h1-2,4,7-12,15H,3,5-6,13-14H2,(H,27,28,30)
• InChIKey: NDUYOTGYMHJOCH-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 82.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.91
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide?

The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide (CID 19459011) is N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide.

What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide?

The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide is O=C(Nc1ncn(Cc2ccccc2Cl)n1)c1ccc(COc2ccc3c(c2)CCC3)o1.

What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide?

The InChIKey is NDUYOTGYMHJOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3/c25-21-7-2-1-4-18(21)13-29-15-26-24(28-29)27-23(30)22-11-10-20(32-22)14-31-19-9-8-16-5-3-6-17(16)12-19/h1-2,4,7-12,15H,3,5-6,13-14H2,(H,27,28,30).

What are the key properties of N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide?

N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide has a molecular weight of 448.91 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 19459011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).