3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide

C24H17Cl4FN2O2 — CID 154957676

IUPAC3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide
SMILESO=CC1(CNc2cccc(C(=O)Nc3ccc(F)cc3)c2)C(c2cc(Cl)cc(Cl)c2)C1(Cl)Cl
InChIInChI=1S/C24H17Cl4FN2O2/c25-16-8-15(9-17(26)11-16)21-23(13-32,24(21,27)28)12-30-20-3-1-2-14(10-20)22(33)31-19-6-4-18(29)5-7-19/h1-11,13,21,30H,12H2,(H,31,33)
InChIKeyGFWIUKGWFDNJRC-UHFFFAOYSA-N
MW526.22 g/mol
LogP6.95
Rot. Bonds7

About 3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide

3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide (PubChem CID 154957676) has the molecular formula C24H17Cl4FN2O2 and a molecular weight of 526.22 g/mol. Its IUPAC name is 3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide
PubChem CID154957676
Molecular FormulaC24H17Cl4FN2O2
Molecular Weight526.22 g/mol
Exact Mass524.00
IUPAC Name3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide
SMILESO=CC1(CNc2cccc(C(=O)Nc3ccc(F)cc3)c2)C(c2cc(Cl)cc(Cl)c2)C1(Cl)Cl
InChIInChI=1S/C24H17Cl4FN2O2/c25-16-8-15(9-17(26)11-16)21-23(13-32,24(21,27)28)12-30-20-3-1-2-14(10-20)22(33)31-19-6-4-18(29)5-7-19/h1-11,13,21,30H,12H2,(H,31,33)
InChIKeyGFWIUKGWFDNJRC-UHFFFAOYSA-N
XLogP6.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.22
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide?
The IUPAC name of 3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide (CID 154957676) is 3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide is O=CC1(CNc2cccc(C(=O)Nc3ccc(F)cc3)c2)C(c2cc(Cl)cc(Cl)c2)C1(Cl)Cl.
What is the InChIKey of 3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide?
The InChIKey is GFWIUKGWFDNJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl4FN2O2/c25-16-8-15(9-17(26)11-16)21-23(13-32,24(21,27)28)12-30-20-3-1-2-14(10-20)22(33)31-19-6-4-18(29)5-7-19/h1-11,13,21,30H,12H2,(H,31,33).
What are the key properties of 3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide?
3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide has a molecular weight of 526.22 g/mol, XLogP of 6.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 154957676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).