2,2-dichloro-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]acetamide

C20H26Cl2N2O — CID 98233144

About 2,2-dichloro-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]acetamide

2,2-dichloro-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]acetamide (PubChem CID 98233144) has the molecular formula C20H26Cl2N2O and a molecular weight of 381.35 g/mol. Its IUPAC name is 2,2-dichloro-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 2,2-dichloro-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]acetamide
• PubChem CID: 98233144
• Molecular Formula: C20H26Cl2N2O
• Molecular Weight: 381.35 g/mol
• Exact Mass: 380.14
• IUPAC Name: 2,2-dichloro-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]acetamide
• SMILES: Cc1cccc(Cn2cccc2CN(C(=O)C(Cl)Cl)[C@H](C)C(C)C)c1
• InChI: InChI=1S/C20H26Cl2N2O/c1-14(2)16(4)24(20(25)19(21)22)13-18-9-6-10-23(18)12-17-8-5-7-15(3)11-17/h5-11,14,16,19H,12-13H2,1-4H3/t16-/m1/s1
• InChIKey: QNKGPYXWMCCNGP-MRXNPFEDSA-N
• XLogP: 5.02
• TPSA: 25.24 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	381.35
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]acetamide?

The IUPAC name of 2,2-dichloro-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]acetamide (CID 98233144) is 2,2-dichloro-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]acetamide.

What is the SMILES notation for 2,2-dichloro-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]acetamide?

The canonical SMILES for 2,2-dichloro-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]acetamide is Cc1cccc(Cn2cccc2CN(C(=O)C(Cl)Cl)[C@H](C)C(C)C)c1.

What is the InChIKey of 2,2-dichloro-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]acetamide?

The InChIKey is QNKGPYXWMCCNGP-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26Cl2N2O/c1-14(2)16(4)24(20(25)19(21)22)13-18-9-6-10-23(18)12-17-8-5-7-15(3)11-17/h5-11,14,16,19H,12-13H2,1-4H3/t16-/m1/s1.

What are the key properties of 2,2-dichloro-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]acetamide?

2,2-dichloro-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]acetamide has a molecular weight of 381.35 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dichloro-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]acetamide is sourced from PubChem (CID 98233144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).