3,4-dichloro-N-cyclopropyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide

C22H27Cl2N3O2 — CID 3663729

About 3,4-dichloro-N-cyclopropyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide

3,4-dichloro-N-cyclopropyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide (PubChem CID 3663729) has the molecular formula C22H27Cl2N3O2 and a molecular weight of 436.38 g/mol. Its IUPAC name is 3,4-dichloro-N-cyclopropyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 3,4-dichloro-N-cyclopropyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
• PubChem CID: 3663729
• Molecular Formula: C22H27Cl2N3O2
• Molecular Weight: 436.38 g/mol
• Exact Mass: 435.15
• IUPAC Name: 3,4-dichloro-N-cyclopropyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
• SMILES: CC(C)CN(Cc1cccn1C)C(=O)CN(C(=O)c1ccc(Cl)c(Cl)c1)C1CC1
• InChI: InChI=1S/C22H27Cl2N3O2/c1-15(2)12-26(13-18-5-4-10-25(18)3)21(28)14-27(17-7-8-17)22(29)16-6-9-19(23)20(24)11-16/h4-6,9-11,15,17H,7-8,12-14H2,1-3H3
• InChIKey: RTYYEBMRUYFXJM-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 45.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.38
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-cyclopropyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide?

The IUPAC name of 3,4-dichloro-N-cyclopropyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide (CID 3663729) is 3,4-dichloro-N-cyclopropyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide.

What is the SMILES notation for 3,4-dichloro-N-cyclopropyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide?

The canonical SMILES for 3,4-dichloro-N-cyclopropyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide is CC(C)CN(Cc1cccn1C)C(=O)CN(C(=O)c1ccc(Cl)c(Cl)c1)C1CC1.

What is the InChIKey of 3,4-dichloro-N-cyclopropyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide?

The InChIKey is RTYYEBMRUYFXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2N3O2/c1-15(2)12-26(13-18-5-4-10-25(18)3)21(28)14-27(17-7-8-17)22(29)16-6-9-19(23)20(24)11-16/h4-6,9-11,15,17H,7-8,12-14H2,1-3H3.

What are the key properties of 3,4-dichloro-N-cyclopropyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide?

3,4-dichloro-N-cyclopropyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide has a molecular weight of 436.38 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dichloro-N-cyclopropyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 3663729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).