N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-(trifluoromethoxy)chromene-2-carboxamide

C35H32ClF3N4O6 — CID 58768281

About N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-(trifluoromethoxy)chromene-2-carboxamide

N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-(trifluoromethoxy)chromene-2-carboxamide (PubChem CID 58768281) has the molecular formula C35H32ClF3N4O6 and a molecular weight of 697.11 g/mol. Its IUPAC name is N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-(trifluoromethoxy)chromene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-(trifluoromethoxy)chromene-2-carboxamide
• PubChem CID: 58768281
• Molecular Formula: C35H32ClF3N4O6
• Molecular Weight: 697.11 g/mol
• Exact Mass: 696.20
• IUPAC Name: N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-(trifluoromethoxy)chromene-2-carboxamide
• SMILES: O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CN2CCCC2=O)CC1)c1cc(=O)c2cc(OC(F)(F)F)ccc2o1
• InChI: InChI=1S/C35H32ClF3N4O6/c36-24-9-7-22(8-10-24)18-27(40-33(46)31-20-29(44)26-19-25(49-35(37,38)39)11-12-30(26)48-31)34(47)42-16-14-41(15-17-42)28-5-2-1-4-23(28)21-43-13-3-6-32(43)45/h1-2,4-5,7-12,19-20,27H,3,6,13-18,21H2,(H,40,46)/t27-/m1/s1
• InChIKey: PQCNIBBNMMOXON-HHHXNRCGSA-N
• XLogP: 5.16
• TPSA: 112.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	697.11
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-(trifluoromethoxy)chromene-2-carboxamide?

The IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-(trifluoromethoxy)chromene-2-carboxamide (CID 58768281) is N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-(trifluoromethoxy)chromene-2-carboxamide.

What is the SMILES notation for N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-(trifluoromethoxy)chromene-2-carboxamide?

The canonical SMILES for N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-(trifluoromethoxy)chromene-2-carboxamide is O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CN2CCCC2=O)CC1)c1cc(=O)c2cc(OC(F)(F)F)ccc2o1.

What is the InChIKey of N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-(trifluoromethoxy)chromene-2-carboxamide?

The InChIKey is PQCNIBBNMMOXON-HHHXNRCGSA-N. The full InChI is InChI=1S/C35H32ClF3N4O6/c36-24-9-7-22(8-10-24)18-27(40-33(46)31-20-29(44)26-19-25(49-35(37,38)39)11-12-30(26)48-31)34(47)42-16-14-41(15-17-42)28-5-2-1-4-23(28)21-43-13-3-6-32(43)45/h1-2,4-5,7-12,19-20,27H,3,6,13-18,21H2,(H,40,46)/t27-/m1/s1.

What are the key properties of N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-(trifluoromethoxy)chromene-2-carboxamide?

N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-(trifluoromethoxy)chromene-2-carboxamide has a molecular weight of 697.11 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxo-6-(trifluoromethoxy)chromene-2-carboxamide is sourced from PubChem (CID 58768281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).