2-chloro-5-[[(3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluoro-3-methoxyphenyl)benzamide

C24H16Cl5FN2O3 — CID 146269472

About 2-chloro-5-[[(3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluoro-3-methoxyphenyl)benzamide

2-chloro-5-[[(3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluoro-3-methoxyphenyl)benzamide (PubChem CID 146269472) has the molecular formula C24H16Cl5FN2O3 and a molecular weight of 576.67 g/mol. Its IUPAC name is 2-chloro-5-[[(3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluoro-3-methoxyphenyl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-5-[[(3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluoro-3-methoxyphenyl)benzamide
• PubChem CID: 146269472
• Molecular Formula: C24H16Cl5FN2O3
• Molecular Weight: 576.67 g/mol
• Exact Mass: 573.96
• IUPAC Name: 2-chloro-5-[[(3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluoro-3-methoxyphenyl)benzamide
• SMILES: COc1cc(NC(=O)c2cc(NC(=O)C3[C@@H](c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)ccc1F
• InChI: InChI=1S/C24H16Cl5FN2O3/c1-35-19-10-15(3-5-18(19)30)31-22(33)16-9-14(2-4-17(16)27)32-23(34)21-20(24(21,28)29)11-6-12(25)8-13(26)7-11/h2-10,20-21H,1H3,(H,31,33)(H,32,34)/t20-,21?/m1/s1
• InChIKey: YISZLCQFMWDFKV-VQCQRNETSA-N
• XLogP: 7.57
• TPSA: 67.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.67
LogP ≤ 5	7.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluoro-3-methoxyphenyl)benzamide?

The IUPAC name of 2-chloro-5-[[(3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluoro-3-methoxyphenyl)benzamide (CID 146269472) is 2-chloro-5-[[(3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluoro-3-methoxyphenyl)benzamide.

What is the SMILES notation for 2-chloro-5-[[(3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluoro-3-methoxyphenyl)benzamide?

The canonical SMILES for 2-chloro-5-[[(3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluoro-3-methoxyphenyl)benzamide is COc1cc(NC(=O)c2cc(NC(=O)C3[C@@H](c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)ccc1F.

What is the InChIKey of 2-chloro-5-[[(3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluoro-3-methoxyphenyl)benzamide?

The InChIKey is YISZLCQFMWDFKV-VQCQRNETSA-N. The full InChI is InChI=1S/C24H16Cl5FN2O3/c1-35-19-10-15(3-5-18(19)30)31-22(33)16-9-14(2-4-17(16)27)32-23(34)21-20(24(21,28)29)11-6-12(25)8-13(26)7-11/h2-10,20-21H,1H3,(H,31,33)(H,32,34)/t20-,21?/m1/s1.

What are the key properties of 2-chloro-5-[[(3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluoro-3-methoxyphenyl)benzamide?

2-chloro-5-[[(3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluoro-3-methoxyphenyl)benzamide has a molecular weight of 576.67 g/mol, XLogP of 7.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[[(3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluoro-3-methoxyphenyl)benzamide is sourced from PubChem (CID 146269472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).