(3R)-2,2-dichloro-N-[4-chloro-3-[2-[2-chloro-4-fluoro-3-(2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C28H18Cl5F4NO3 — CID 161026065

About (3R)-2,2-dichloro-N-[4-chloro-3-[2-[2-chloro-4-fluoro-3-(2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

(3R)-2,2-dichloro-N-[4-chloro-3-[2-[2-chloro-4-fluoro-3-(2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 161026065) has the molecular formula C28H18Cl5F4NO3 and a molecular weight of 669.71 g/mol. Its IUPAC name is (3R)-2,2-dichloro-N-[4-chloro-3-[2-[2-chloro-4-fluoro-3-(2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: (3R)-2,2-dichloro-N-[4-chloro-3-[2-[2-chloro-4-fluoro-3-(2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
• PubChem CID: 161026065
• Molecular Formula: C28H18Cl5F4NO3
• Molecular Weight: 669.71 g/mol
• Exact Mass: 666.97
• IUPAC Name: (3R)-2,2-dichloro-N-[4-chloro-3-[2-[2-chloro-4-fluoro-3-(2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
• SMILES: CC(=O)Cc1c(F)ccc(CC(=O)c2cc(NC(=O)C3[C@H](c4ccc(Cl)c(C(F)(F)F)c4)C3(Cl)Cl)ccc2Cl)c1Cl
• InChI: InChI=1S/C28H18Cl5F4NO3/c1-12(39)8-17-21(34)7-3-14(25(17)31)10-22(40)16-11-15(4-6-19(16)29)38-26(41)24-23(27(24,32)33)13-2-5-20(30)18(9-13)28(35,36)37/h2-7,9,11,23-24H,8,10H2,1H3,(H,38,41)/t23-,24?/m0/s1
• InChIKey: TYZJICQVQZQHBC-UXMRNZNESA-N
• XLogP: 8.89
• TPSA: 63.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.71
LogP ≤ 5	8.89
H-Bond Donors ≤ 5	1
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 (3R)-2,2-dichloro-N-[4-chloro-3-[2-[2-chloro-4-fluoro-3-(2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?

The IUPAC name of (3R)-2,2-dichloro-N-[4-chloro-3-[2-[2-chloro-4-fluoro-3-(2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 161026065) is (3R)-2,2-dichloro-N-[4-chloro-3-[2-[2-chloro-4-fluoro-3-(2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

What is the SMILES notation for (3R)-2,2-dichloro-N-[4-chloro-3-[2-[2-chloro-4-fluoro-3-(2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?

The canonical SMILES for (3R)-2,2-dichloro-N-[4-chloro-3-[2-[2-chloro-4-fluoro-3-(2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is CC(=O)Cc1c(F)ccc(CC(=O)c2cc(NC(=O)C3[C@H](c4ccc(Cl)c(C(F)(F)F)c4)C3(Cl)Cl)ccc2Cl)c1Cl.

What is the InChIKey of (3R)-2,2-dichloro-N-[4-chloro-3-[2-[2-chloro-4-fluoro-3-(2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?

The InChIKey is TYZJICQVQZQHBC-UXMRNZNESA-N. The full InChI is InChI=1S/C28H18Cl5F4NO3/c1-12(39)8-17-21(34)7-3-14(25(17)31)10-22(40)16-11-15(4-6-19(16)29)38-26(41)24-23(27(24,32)33)13-2-5-20(30)18(9-13)28(35,36)37/h2-7,9,11,23-24H,8,10H2,1H3,(H,38,41)/t23-,24?/m0/s1.

What are the key properties of (3R)-2,2-dichloro-N-[4-chloro-3-[2-[2-chloro-4-fluoro-3-(2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?

(3R)-2,2-dichloro-N-[4-chloro-3-[2-[2-chloro-4-fluoro-3-(2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 669.71 g/mol, XLogP of 8.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-2,2-dichloro-N-[4-chloro-3-[2-[2-chloro-4-fluoro-3-(2-oxopropyl)phenyl]acetyl]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 161026065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).