2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide

C16H17Cl2N3O3 — CID 9166788

IUPAC2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1ccco1)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H17Cl2N3O3/c1-21(9-14(22)19-8-11-4-3-7-24-11)10-15(23)20-16-12(17)5-2-6-13(16)18/h2-7H,8-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyHOPRDGCMVPNWSL-UHFFFAOYSA-N
MW370.24 g/mol
LogP2.77
Rot. Bonds7

About 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide

2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 9166788) has the molecular formula C16H17Cl2N3O3 and a molecular weight of 370.24 g/mol. Its IUPAC name is 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide
PubChem CID9166788
Molecular FormulaC16H17Cl2N3O3
Molecular Weight370.24 g/mol
Exact Mass369.06
IUPAC Name2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1ccco1)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H17Cl2N3O3/c1-21(9-14(22)19-8-11-4-3-7-24-11)10-15(23)20-16-12(17)5-2-6-13(16)18/h2-7H,8-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyHOPRDGCMVPNWSL-UHFFFAOYSA-N
XLogP2.77
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide (CID 9166788) is 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide is CN(CC(=O)NCc1ccco1)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is HOPRDGCMVPNWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O3/c1-21(9-14(22)19-8-11-4-3-7-24-11)10-15(23)20-16-12(17)5-2-6-13(16)18/h2-7H,8-10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide?
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 370.24 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 9166788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).