(2R)-N-[(1S)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide

C20H18F2N4O2 — CID 169279023

About (2R)-N-[(1S)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide

(2R)-N-[(1S)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 169279023) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[(1S)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
• PubChem CID: 169279023
• Molecular Formula: C20H18F2N4O2
• Molecular Weight: 384.39 g/mol
• Exact Mass: 384.14
• IUPAC Name: (2R)-N-[(1S)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
• SMILES: C[C@@H](c1n[nH]c(=O)c2cc(F)c(F)cc12)N(C)C(=O)[C@H]1Cc2ccccc2N1
• InChI: InChI=1S/C20H18F2N4O2/c1-10(18-12-8-14(21)15(22)9-13(12)19(27)25-24-18)26(2)20(28)17-7-11-5-3-4-6-16(11)23-17/h3-6,8-10,17,23H,7H2,1-2H3,(H,25,27)/t10-,17+/m0/s1
• InChIKey: PZLNKGOMGHQMGJ-DYZYQPBXSA-N
• XLogP: 2.76
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.39
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?

The IUPAC name of (2R)-N-[(1S)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 169279023) is (2R)-N-[(1S)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.

What is the SMILES notation for (2R)-N-[(1S)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?

The canonical SMILES for (2R)-N-[(1S)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is C[C@@H](c1n[nH]c(=O)c2cc(F)c(F)cc12)N(C)C(=O)[C@H]1Cc2ccccc2N1.

What is the InChIKey of (2R)-N-[(1S)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?

The InChIKey is PZLNKGOMGHQMGJ-DYZYQPBXSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-10(18-12-8-14(21)15(22)9-13(12)19(27)25-24-18)26(2)20(28)17-7-11-5-3-4-6-16(11)23-17/h3-6,8-10,17,23H,7H2,1-2H3,(H,25,27)/t10-,17+/m0/s1.

What are the key properties of (2R)-N-[(1S)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?

(2R)-N-[(1S)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(1S)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 169279023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).