2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-[(2R)-1-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propan-2-yl]benzene-1,4-dicarboxamide

C28H27Cl3N4O3 — CID 166818260

About 2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-[(2R)-1-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propan-2-yl]benzene-1,4-dicarboxamide

2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-[(2R)-1-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propan-2-yl]benzene-1,4-dicarboxamide (PubChem CID 166818260) has the molecular formula C28H27Cl3N4O3 and a molecular weight of 573.91 g/mol. Its IUPAC name is 2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-[(2R)-1-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propan-2-yl]benzene-1,4-dicarboxamide.

Molecular Properties

• Compound Name: 2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-[(2R)-1-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propan-2-yl]benzene-1,4-dicarboxamide
• PubChem CID: 166818260
• Molecular Formula: C28H27Cl3N4O3
• Molecular Weight: 573.91 g/mol
• Exact Mass: 572.11
• IUPAC Name: 2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-[(2R)-1-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propan-2-yl]benzene-1,4-dicarboxamide
• SMILES: C[C@H](CNC(=O)NC1CCc2ccccc21)NC(=O)c1c(Cl)cc(C(=O)NCc2cccc(Cl)c2)cc1Cl
• InChI: InChI=1S/C28H27Cl3N4O3/c1-16(14-33-28(38)35-24-10-9-18-6-2-3-8-21(18)24)34-27(37)25-22(30)12-19(13-23(25)31)26(36)32-15-17-5-4-7-20(29)11-17/h2-8,11-13,16,24H,9-10,14-15H2,1H3,(H,32,36)(H,34,37)(H2,33,35,38)/t16-,24?/m1/s1
• InChIKey: JHYPAHDFLWKASD-YAOANENCSA-N
• XLogP: 5.68
• TPSA: 99.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.91
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-[(2R)-1-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propan-2-yl]benzene-1,4-dicarboxamide?

The IUPAC name of 2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-[(2R)-1-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propan-2-yl]benzene-1,4-dicarboxamide (CID 166818260) is 2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-[(2R)-1-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propan-2-yl]benzene-1,4-dicarboxamide.

What is the SMILES notation for 2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-[(2R)-1-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propan-2-yl]benzene-1,4-dicarboxamide?

The canonical SMILES for 2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-[(2R)-1-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propan-2-yl]benzene-1,4-dicarboxamide is C[C@H](CNC(=O)NC1CCc2ccccc21)NC(=O)c1c(Cl)cc(C(=O)NCc2cccc(Cl)c2)cc1Cl.

What is the InChIKey of 2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-[(2R)-1-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propan-2-yl]benzene-1,4-dicarboxamide?

The InChIKey is JHYPAHDFLWKASD-YAOANENCSA-N. The full InChI is InChI=1S/C28H27Cl3N4O3/c1-16(14-33-28(38)35-24-10-9-18-6-2-3-8-21(18)24)34-27(37)25-22(30)12-19(13-23(25)31)26(36)32-15-17-5-4-7-20(29)11-17/h2-8,11-13,16,24H,9-10,14-15H2,1H3,(H,32,36)(H,34,37)(H2,33,35,38)/t16-,24?/m1/s1.

What are the key properties of 2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-[(2R)-1-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propan-2-yl]benzene-1,4-dicarboxamide?

2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-[(2R)-1-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propan-2-yl]benzene-1,4-dicarboxamide has a molecular weight of 573.91 g/mol, XLogP of 5.68, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-[(2R)-1-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propan-2-yl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 166818260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).