1-chloro-4-methylbenzene;7-chloro-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide

C37H39Cl2N3O5 — CID 142941838

About 1-chloro-4-methylbenzene;7-chloro-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide

1-chloro-4-methylbenzene;7-chloro-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide (PubChem CID 142941838) has the molecular formula C37H39Cl2N3O5 and a molecular weight of 676.64 g/mol. Its IUPAC name is 1-chloro-4-methylbenzene;7-chloro-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide.

Molecular Properties

• Compound Name: 1-chloro-4-methylbenzene;7-chloro-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide
• PubChem CID: 142941838
• Molecular Formula: C37H39Cl2N3O5
• Molecular Weight: 676.64 g/mol
• Exact Mass: 675.23
• IUPAC Name: 1-chloro-4-methylbenzene;7-chloro-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide
• SMILES: CC(NC(=O)c1cc(=O)c2ccc(Cl)cc2o1)C(=O)N1CCC(c2ccccc2CN2CCCCC2=O)CC1.Cc1ccc(Cl)cc1
• InChI: InChI=1S/C30H32ClN3O5.C7H7Cl/c1-19(32-29(37)27-17-25(35)24-10-9-22(31)16-26(24)39-27)30(38)33-14-11-20(12-15-33)23-7-3-2-6-21(23)18-34-13-5-4-8-28(34)36;1-6-2-4-7(8)5-3-6/h2-3,6-7,9-10,16-17,19-20H,4-5,8,11-15,18H2,1H3,(H,32,37);2-5H,1H3
• InChIKey: IOYDQCHSDBJDFP-UHFFFAOYSA-N
• XLogP: 7.13
• TPSA: 99.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.64
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methylbenzene;7-chloro-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide?

The IUPAC name of 1-chloro-4-methylbenzene;7-chloro-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide (CID 142941838) is 1-chloro-4-methylbenzene;7-chloro-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide.

What is the SMILES notation for 1-chloro-4-methylbenzene;7-chloro-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide?

The canonical SMILES for 1-chloro-4-methylbenzene;7-chloro-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide is CC(NC(=O)c1cc(=O)c2ccc(Cl)cc2o1)C(=O)N1CCC(c2ccccc2CN2CCCCC2=O)CC1.Cc1ccc(Cl)cc1.

What is the InChIKey of 1-chloro-4-methylbenzene;7-chloro-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide?

The InChIKey is IOYDQCHSDBJDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClN3O5.C7H7Cl/c1-19(32-29(37)27-17-25(35)24-10-9-22(31)16-26(24)39-27)30(38)33-14-11-20(12-15-33)23-7-3-2-6-21(23)18-34-13-5-4-8-28(34)36;1-6-2-4-7(8)5-3-6/h2-3,6-7,9-10,16-17,19-20H,4-5,8,11-15,18H2,1H3,(H,32,37);2-5H,1H3.

What are the key properties of 1-chloro-4-methylbenzene;7-chloro-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide?

1-chloro-4-methylbenzene;7-chloro-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide has a molecular weight of 676.64 g/mol, XLogP of 7.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-4-methylbenzene;7-chloro-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide is sourced from PubChem (CID 142941838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).