2-chloro-N-[[4-(2,2-dichloro-1,1-difluoroethoxy)phenyl]carbamoyl]benzamide;2-chloro-N-[[4-(1-phenylethoxy)phenyl]carbamoyl]benzamide;(3-methylphenyl) N-propylcarbamate

C49H45Cl4F2N5O8 — CID 157061486

About 2-chloro-N-[[4-(2,2-dichloro-1,1-difluoroethoxy)phenyl]carbamoyl]benzamide;2-chloro-N-[[4-(1-phenylethoxy)phenyl]carbamoyl]benzamide;(3-methylphenyl) N-propylcarbamate

2-chloro-N-[[4-(2,2-dichloro-1,1-difluoroethoxy)phenyl]carbamoyl]benzamide;2-chloro-N-[[4-(1-phenylethoxy)phenyl]carbamoyl]benzamide;(3-methylphenyl) N-propylcarbamate (PubChem CID 157061486) has the molecular formula C49H45Cl4F2N5O8 and a molecular weight of 1011.73 g/mol. Its IUPAC name is 2-chloro-N-[[4-(2,2-dichloro-1,1-difluoroethoxy)phenyl]carbamoyl]benzamide;2-chloro-N-[[4-(1-phenylethoxy)phenyl]carbamoyl]benzamide;(3-methylphenyl) N-propylcarbamate.

Molecular Properties

• Compound Name: 2-chloro-N-[[4-(2,2-dichloro-1,1-difluoroethoxy)phenyl]carbamoyl]benzamide;2-chloro-N-[[4-(1-phenylethoxy)phenyl]carbamoyl]benzamide;(3-methylphenyl) N-propylcarbamate
• PubChem CID: 157061486
• Molecular Formula: C49H45Cl4F2N5O8
• Molecular Weight: 1011.73 g/mol
• Exact Mass: 1009.20
• IUPAC Name: 2-chloro-N-[[4-(2,2-dichloro-1,1-difluoroethoxy)phenyl]carbamoyl]benzamide;2-chloro-N-[[4-(1-phenylethoxy)phenyl]carbamoyl]benzamide;(3-methylphenyl) N-propylcarbamate
• SMILES: CC(Oc1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1)c1ccccc1.CCCNC(=O)Oc1cccc(C)c1.O=C(NC(=O)c1ccccc1Cl)Nc1ccc(OC(F)(F)C(Cl)Cl)cc1
• InChI: InChI=1S/C22H19ClN2O3.C16H11Cl3F2N2O3.C11H15NO2/c1-15(16-7-3-2-4-8-16)28-18-13-11-17(12-14-18)24-22(27)25-21(26)19-9-5-6-10-20(19)23;17-12-4-2-1-3-11(12)13(24)23-15(25)22-9-5-7-10(8-6-9)26-16(20,21)14(18)19;1-3-7-12-11(13)14-10-6-4-5-9(2)8-10/h2-15H,1H3,(H2,24,25,26,27);1-8,14H,(H2,22,23,24,25);4-6,8H,3,7H2,1-2H3,(H,12,13)
• InChIKey: ABJPFOHXBKXWIS-UHFFFAOYSA-N
• XLogP: 13.01
• TPSA: 173.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1011.73
LogP ≤ 5	13.01
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(2,2-dichloro-1,1-difluoroethoxy)phenyl]carbamoyl]benzamide;2-chloro-N-[[4-(1-phenylethoxy)phenyl]carbamoyl]benzamide;(3-methylphenyl) N-propylcarbamate?

The IUPAC name of 2-chloro-N-[[4-(2,2-dichloro-1,1-difluoroethoxy)phenyl]carbamoyl]benzamide;2-chloro-N-[[4-(1-phenylethoxy)phenyl]carbamoyl]benzamide;(3-methylphenyl) N-propylcarbamate (CID 157061486) is 2-chloro-N-[[4-(2,2-dichloro-1,1-difluoroethoxy)phenyl]carbamoyl]benzamide;2-chloro-N-[[4-(1-phenylethoxy)phenyl]carbamoyl]benzamide;(3-methylphenyl) N-propylcarbamate.

What is the SMILES notation for 2-chloro-N-[[4-(2,2-dichloro-1,1-difluoroethoxy)phenyl]carbamoyl]benzamide;2-chloro-N-[[4-(1-phenylethoxy)phenyl]carbamoyl]benzamide;(3-methylphenyl) N-propylcarbamate?

The canonical SMILES for 2-chloro-N-[[4-(2,2-dichloro-1,1-difluoroethoxy)phenyl]carbamoyl]benzamide;2-chloro-N-[[4-(1-phenylethoxy)phenyl]carbamoyl]benzamide;(3-methylphenyl) N-propylcarbamate is CC(Oc1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1)c1ccccc1.CCCNC(=O)Oc1cccc(C)c1.O=C(NC(=O)c1ccccc1Cl)Nc1ccc(OC(F)(F)C(Cl)Cl)cc1.

What is the InChIKey of 2-chloro-N-[[4-(2,2-dichloro-1,1-difluoroethoxy)phenyl]carbamoyl]benzamide;2-chloro-N-[[4-(1-phenylethoxy)phenyl]carbamoyl]benzamide;(3-methylphenyl) N-propylcarbamate?

The InChIKey is ABJPFOHXBKXWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3.C16H11Cl3F2N2O3.C11H15NO2/c1-15(16-7-3-2-4-8-16)28-18-13-11-17(12-14-18)24-22(27)25-21(26)19-9-5-6-10-20(19)23;17-12-4-2-1-3-11(12)13(24)23-15(25)22-9-5-7-10(8-6-9)26-16(20,21)14(18)19;1-3-7-12-11(13)14-10-6-4-5-9(2)8-10/h2-15H,1H3,(H2,24,25,26,27);1-8,14H,(H2,22,23,24,25);4-6,8H,3,7H2,1-2H3,(H,12,13).

What are the key properties of 2-chloro-N-[[4-(2,2-dichloro-1,1-difluoroethoxy)phenyl]carbamoyl]benzamide;2-chloro-N-[[4-(1-phenylethoxy)phenyl]carbamoyl]benzamide;(3-methylphenyl) N-propylcarbamate?

2-chloro-N-[[4-(2,2-dichloro-1,1-difluoroethoxy)phenyl]carbamoyl]benzamide;2-chloro-N-[[4-(1-phenylethoxy)phenyl]carbamoyl]benzamide;(3-methylphenyl) N-propylcarbamate has a molecular weight of 1011.73 g/mol, XLogP of 13.01, 13 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[[4-(2,2-dichloro-1,1-difluoroethoxy)phenyl]carbamoyl]benzamide;2-chloro-N-[[4-(1-phenylethoxy)phenyl]carbamoyl]benzamide;(3-methylphenyl) N-propylcarbamate is sourced from PubChem (CID 157061486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).