trans-(1R,3R)-N-[3-[2-(2-amino-4,6-difluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carboxamide

C24H15Cl5F2N2O2 — CID 152924676

About trans-(1R,3R)-N-[3-[2-(2-amino-4,6-difluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carboxamide

trans-(1R,3R)-N-[3-[2-(2-amino-4,6-difluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carboxamide (PubChem CID 152924676) has the molecular formula C24H15Cl5F2N2O2 and a molecular weight of 578.66 g/mol. Its IUPAC name is trans-(1R,3R)-N-[3-[2-(2-amino-4,6-difluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1R,3R)-N-[3-[2-(2-amino-4,6-difluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
• PubChem CID: 152924676
• Molecular Formula: C24H15Cl5F2N2O2
• Molecular Weight: 578.66 g/mol
• Exact Mass: 575.95
• IUPAC Name: trans-(1R,3R)-N-[3-[2-(2-amino-4,6-difluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
• SMILES: Nc1cc(F)cc(F)c1CC(=O)c1cc(NC(=O)[C@H]2[C@H](c3ccc(Cl)c(Cl)c3)C2(Cl)Cl)ccc1Cl
• InChI: InChI=1S/C24H15Cl5F2N2O2/c25-15-4-2-12(8-13(15)20(34)9-14-18(31)6-11(30)7-19(14)32)33-23(35)22-21(24(22,28)29)10-1-3-16(26)17(27)5-10/h1-8,21-22H,9,32H2,(H,33,35)/t21-,22+/m0/s1
• InChIKey: UJTXRRRXQNPUOU-FCHUYYIVSA-N
• XLogP: 7.46
• TPSA: 72.19 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	578.66
LogP ≤ 5	7.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-N-[3-[2-(2-amino-4,6-difluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carboxamide?

The IUPAC name of trans-(1R,3R)-N-[3-[2-(2-amino-4,6-difluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carboxamide (CID 152924676) is trans-(1R,3R)-N-[3-[2-(2-amino-4,6-difluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1R,3R)-N-[3-[2-(2-amino-4,6-difluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carboxamide?

The canonical SMILES for trans-(1R,3R)-N-[3-[2-(2-amino-4,6-difluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carboxamide is Nc1cc(F)cc(F)c1CC(=O)c1cc(NC(=O)[C@H]2[C@H](c3ccc(Cl)c(Cl)c3)C2(Cl)Cl)ccc1Cl.

What is the InChIKey of trans-(1R,3R)-N-[3-[2-(2-amino-4,6-difluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carboxamide?

The InChIKey is UJTXRRRXQNPUOU-FCHUYYIVSA-N. The full InChI is InChI=1S/C24H15Cl5F2N2O2/c25-15-4-2-12(8-13(15)20(34)9-14-18(31)6-11(30)7-19(14)32)33-23(35)22-21(24(22,28)29)10-1-3-16(26)17(27)5-10/h1-8,21-22H,9,32H2,(H,33,35)/t21-,22+/m0/s1.

What are the key properties of trans-(1R,3R)-N-[3-[2-(2-amino-4,6-difluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carboxamide?

trans-(1R,3R)-N-[3-[2-(2-amino-4,6-difluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 578.66 g/mol, XLogP of 7.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,3R)-N-[3-[2-(2-amino-4,6-difluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 152924676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).