3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide

C21H25Cl2N3O2 — CID 1057124

About 3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide

3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide (PubChem CID 1057124) has the molecular formula C21H25Cl2N3O2 and a molecular weight of 422.36 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: 3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
• PubChem CID: 1057124
• Molecular Formula: C21H25Cl2N3O2
• Molecular Weight: 422.36 g/mol
• Exact Mass: 421.13
• IUPAC Name: 3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
• SMILES: CC(C)N(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)c1cc(Cl)cc(Cl)c1
• InChI: InChI=1S/C21H25Cl2N3O2/c1-14(2)25(21(28)15-9-16(22)11-17(23)10-15)13-20(27)26(18-6-7-18)12-19-5-4-8-24(19)3/h4-5,8-11,14,18H,6-7,12-13H2,1-3H3
• InChIKey: GAULZRKCRJJGMN-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 45.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.36
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide?

The IUPAC name of 3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide (CID 1057124) is 3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide.

What is the SMILES notation for 3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide?

The canonical SMILES for 3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide is CC(C)N(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)c1cc(Cl)cc(Cl)c1.

What is the InChIKey of 3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide?

The InChIKey is GAULZRKCRJJGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O2/c1-14(2)25(21(28)15-9-16(22)11-17(23)10-15)13-20(27)26(18-6-7-18)12-19-5-4-8-24(19)3/h4-5,8-11,14,18H,6-7,12-13H2,1-3H3.

What are the key properties of 3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide?

3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide has a molecular weight of 422.36 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 1057124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).