3-chloro-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide

C23H24ClN3O3 — CID 1057199

About 3-chloro-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide

3-chloro-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide (PubChem CID 1057199) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 3-chloro-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
• PubChem CID: 1057199
• Molecular Formula: C23H24ClN3O3
• Molecular Weight: 425.92 g/mol
• Exact Mass: 425.15
• IUPAC Name: 3-chloro-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
• SMILES: Cn1cccc1CN(Cc1ccco1)C(=O)CN(C(=O)c1cccc(Cl)c1)C1CC1
• InChI: InChI=1S/C23H24ClN3O3/c1-25-11-3-7-20(25)14-26(15-21-8-4-12-30-21)22(28)16-27(19-9-10-19)23(29)17-5-2-6-18(24)13-17/h2-8,11-13,19H,9-10,14-16H2,1H3
• InChIKey: WBHYPVRSNYCRRA-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 58.69 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.92
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide?

The IUPAC name of 3-chloro-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide (CID 1057199) is 3-chloro-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide.

What is the SMILES notation for 3-chloro-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide?

The canonical SMILES for 3-chloro-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide is Cn1cccc1CN(Cc1ccco1)C(=O)CN(C(=O)c1cccc(Cl)c1)C1CC1.

What is the InChIKey of 3-chloro-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide?

The InChIKey is WBHYPVRSNYCRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-25-11-3-7-20(25)14-26(15-21-8-4-12-30-21)22(28)16-27(19-9-10-19)23(29)17-5-2-6-18(24)13-17/h2-8,11-13,19H,9-10,14-16H2,1H3.

What are the key properties of 3-chloro-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide?

3-chloro-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide has a molecular weight of 425.92 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 1057199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).