2,4-dichloro-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide

C18H19Cl2N3O3 — CID 7613187

About 2,4-dichloro-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide

2,4-dichloro-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 7613187) has the molecular formula C18H19Cl2N3O3 and a molecular weight of 396.27 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
• PubChem CID: 7613187
• Molecular Formula: C18H19Cl2N3O3
• Molecular Weight: 396.27 g/mol
• Exact Mass: 395.08
• IUPAC Name: 2,4-dichloro-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
• SMILES: COc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)cn1
• InChI: InChI=1S/C18H19Cl2N3O3/c1-10(2)16(18(25)22-12-5-7-15(26-3)21-9-12)23-17(24)13-6-4-11(19)8-14(13)20/h4-10,16H,1-3H3,(H,22,25)(H,23,24)/t16-/m0/s1
• InChIKey: GTGLTUNIMWUJRR-INIZCTEOSA-N
• XLogP: 3.79
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.27
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide?

The IUPAC name of 2,4-dichloro-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 7613187) is 2,4-dichloro-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide.

What is the SMILES notation for 2,4-dichloro-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide?

The canonical SMILES for 2,4-dichloro-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide is COc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)cn1.

What is the InChIKey of 2,4-dichloro-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide?

The InChIKey is GTGLTUNIMWUJRR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19Cl2N3O3/c1-10(2)16(18(25)22-12-5-7-15(26-3)21-9-12)23-17(24)13-6-4-11(19)8-14(13)20/h4-10,16H,1-3H3,(H,22,25)(H,23,24)/t16-/m0/s1.

What are the key properties of 2,4-dichloro-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide?

2,4-dichloro-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 396.27 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 7613187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).