2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide

C22H15Cl5F3N3O4 — CID 122615475

About 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide

2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide (PubChem CID 122615475) has the molecular formula C22H15Cl5F3N3O4 and a molecular weight of 619.64 g/mol. Its IUPAC name is 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide
• PubChem CID: 122615475
• Molecular Formula: C22H15Cl5F3N3O4
• Molecular Weight: 619.64 g/mol
• Exact Mass: 616.95
• IUPAC Name: 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide
• SMILES: O=C(N[C@@H]1CON(CC(F)(F)F)C1=O)c1cc(NC(=O)[C@@H]2[C@@H](c3ccc(Cl)c(Cl)c3)C2(Cl)Cl)ccc1Cl
• InChI: InChI=1S/C22H15Cl5F3N3O4/c23-12-4-2-10(6-11(12)18(34)32-15-7-37-33(20(15)36)8-21(28,29)30)31-19(35)17-16(22(17,26)27)9-1-3-13(24)14(25)5-9/h1-6,15-17H,7-8H2,(H,31,35)(H,32,34)/t15-,16-,17+/m1/s1
• InChIKey: SQMKHYHFRCQCDB-ZACQAIPSSA-N
• XLogP: 5.61
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.64
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide?

The IUPAC name of 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide (CID 122615475) is 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide.

What is the SMILES notation for 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide?

The canonical SMILES for 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide is O=C(N[C@@H]1CON(CC(F)(F)F)C1=O)c1cc(NC(=O)[C@@H]2[C@@H](c3ccc(Cl)c(Cl)c3)C2(Cl)Cl)ccc1Cl.

What is the InChIKey of 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide?

The InChIKey is SQMKHYHFRCQCDB-ZACQAIPSSA-N. The full InChI is InChI=1S/C22H15Cl5F3N3O4/c23-12-4-2-10(6-11(12)18(34)32-15-7-37-33(20(15)36)8-21(28,29)30)31-19(35)17-16(22(17,26)27)9-1-3-13(24)14(25)5-9/h1-6,15-17H,7-8H2,(H,31,35)(H,32,34)/t15-,16-,17+/m1/s1.

What are the key properties of 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide?

2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide has a molecular weight of 619.64 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide is sourced from PubChem (CID 122615475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).