N-butan-2-yl-3,4-dichloro-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide

C23H28Cl2N2O4 — CID 42773390

About N-butan-2-yl-3,4-dichloro-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide

N-butan-2-yl-3,4-dichloro-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide (PubChem CID 42773390) has the molecular formula C23H28Cl2N2O4 and a molecular weight of 467.39 g/mol. Its IUPAC name is N-butan-2-yl-3,4-dichloro-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: N-butan-2-yl-3,4-dichloro-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide
• PubChem CID: 42773390
• Molecular Formula: C23H28Cl2N2O4
• Molecular Weight: 467.39 g/mol
• Exact Mass: 466.14
• IUPAC Name: N-butan-2-yl-3,4-dichloro-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide
• SMILES: CCC(C)N(CC(=O)N(Cc1ccco1)CC1CCCO1)C(=O)c1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C23H28Cl2N2O4/c1-3-16(2)27(23(29)17-8-9-20(24)21(25)12-17)15-22(28)26(13-18-6-4-10-30-18)14-19-7-5-11-31-19/h4,6,8-10,12,16,19H,3,5,7,11,13-15H2,1-2H3
• InChIKey: KAIBDZUXIUOXKS-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 62.99 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.39
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3,4-dichloro-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide?

The IUPAC name of N-butan-2-yl-3,4-dichloro-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide (CID 42773390) is N-butan-2-yl-3,4-dichloro-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide.

What is the SMILES notation for N-butan-2-yl-3,4-dichloro-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide?

The canonical SMILES for N-butan-2-yl-3,4-dichloro-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide is CCC(C)N(CC(=O)N(Cc1ccco1)CC1CCCO1)C(=O)c1ccc(Cl)c(Cl)c1.

What is the InChIKey of N-butan-2-yl-3,4-dichloro-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide?

The InChIKey is KAIBDZUXIUOXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O4/c1-3-16(2)27(23(29)17-8-9-20(24)21(25)12-17)15-22(28)26(13-18-6-4-10-30-18)14-19-7-5-11-31-19/h4,6,8-10,12,16,19H,3,5,7,11,13-15H2,1-2H3.

What are the key properties of N-butan-2-yl-3,4-dichloro-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide?

N-butan-2-yl-3,4-dichloro-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 467.39 g/mol, XLogP of 5.03, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-3,4-dichloro-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 42773390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).