2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-prop-2-enoxybenzamide

C20H15Cl5N2O3 — CID 122621073

About 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-prop-2-enoxybenzamide

2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-prop-2-enoxybenzamide (PubChem CID 122621073) has the molecular formula C20H15Cl5N2O3 and a molecular weight of 508.62 g/mol. Its IUPAC name is 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-prop-2-enoxybenzamide.

Molecular Properties

• Compound Name: 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-prop-2-enoxybenzamide
• PubChem CID: 122621073
• Molecular Formula: C20H15Cl5N2O3
• Molecular Weight: 508.62 g/mol
• Exact Mass: 505.95
• IUPAC Name: 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-prop-2-enoxybenzamide
• SMILES: C=CCONC(=O)c1cc(NC(=O)[C@H]2[C@H](c3ccc(Cl)c(Cl)c3)C2(Cl)Cl)ccc1Cl
• InChI: InChI=1S/C20H15Cl5N2O3/c1-2-7-30-27-18(28)12-9-11(4-6-13(12)21)26-19(29)17-16(20(17,24)25)10-3-5-14(22)15(23)8-10/h2-6,8-9,16-17H,1,7H2,(H,26,29)(H,27,28)/t16-,17+/m0/s1
• InChIKey: MOUMGSPIWUOROF-DLBZAZTESA-N
• XLogP: 6.02
• TPSA: 67.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.62
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-prop-2-enoxybenzamide?

The IUPAC name of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-prop-2-enoxybenzamide (CID 122621073) is 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-prop-2-enoxybenzamide.

What is the SMILES notation for 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-prop-2-enoxybenzamide?

The canonical SMILES for 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-prop-2-enoxybenzamide is C=CCONC(=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-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-prop-2-enoxybenzamide?

The InChIKey is MOUMGSPIWUOROF-DLBZAZTESA-N. The full InChI is InChI=1S/C20H15Cl5N2O3/c1-2-7-30-27-18(28)12-9-11(4-6-13(12)21)26-19(29)17-16(20(17,24)25)10-3-5-14(22)15(23)8-10/h2-6,8-9,16-17H,1,7H2,(H,26,29)(H,27,28)/t16-,17+/m0/s1.

What are the key properties of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-prop-2-enoxybenzamide?

2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-prop-2-enoxybenzamide has a molecular weight of 508.62 g/mol, XLogP of 6.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-prop-2-enoxybenzamide is sourced from PubChem (CID 122621073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).