N-[2-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

C19H21ClN2O5 — CID 55880013

About N-[2-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

N-[2-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 55880013) has the molecular formula C19H21ClN2O5 and a molecular weight of 392.84 g/mol. Its IUPAC name is N-[2-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
• PubChem CID: 55880013
• Molecular Formula: C19H21ClN2O5
• Molecular Weight: 392.84 g/mol
• Exact Mass: 392.11
• IUPAC Name: N-[2-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
• SMILES: Cc1cc(C(=O)NCC(=O)NCCc2cc(Cl)c3c(c2)OCCO3)c(C)o1
• InChI: InChI=1S/C19H21ClN2O5/c1-11-7-14(12(2)27-11)19(24)22-10-17(23)21-4-3-13-8-15(20)18-16(9-13)25-5-6-26-18/h7-9H,3-6,10H2,1-2H3,(H,21,23)(H,22,24)
• InChIKey: YAWXQCQPQAXZCN-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 89.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.84
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?

The IUPAC name of N-[2-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (CID 55880013) is N-[2-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.

What is the SMILES notation for N-[2-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?

The canonical SMILES for N-[2-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCC(=O)NCCc2cc(Cl)c3c(c2)OCCO3)c(C)o1.

What is the InChIKey of N-[2-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?

The InChIKey is YAWXQCQPQAXZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5/c1-11-7-14(12(2)27-11)19(24)22-10-17(23)21-4-3-13-8-15(20)18-16(9-13)25-5-6-26-18/h7-9H,3-6,10H2,1-2H3,(H,21,23)(H,22,24).

What are the key properties of N-[2-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?

N-[2-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 392.84 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 55880013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).