2,2-dichloro-N-[4-chloro-3-[2-(2,3,4-trifluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide

C24H13Cl5F3NO2 — CID 148562302

IUPAC2,2-dichloro-N-[4-chloro-3-[2-(2,3,4-trifluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Cc1ccc(F)c(F)c1F)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C24H13Cl5F3NO2/c25-12-5-11(6-13(26)8-12)19-20(24(19,28)29)23(35)33-14-2-3-16(27)15(9-14)18(34)7-10-1-4-17(30)22(32)21(10)31/h1-6,8-9,19-20H,7H2,(H,33,35)
InChIKeyMVFQJPCQZQUZSY-UHFFFAOYSA-N
MW581.63 g/mol
LogP8.02
Rot. Bonds6

About 2,2-dichloro-N-[4-chloro-3-[2-(2,3,4-trifluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide

2,2-dichloro-N-[4-chloro-3-[2-(2,3,4-trifluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide (PubChem CID 148562302) has the molecular formula C24H13Cl5F3NO2 and a molecular weight of 581.63 g/mol. Its IUPAC name is 2,2-dichloro-N-[4-chloro-3-[2-(2,3,4-trifluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[4-chloro-3-[2-(2,3,4-trifluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
PubChem CID148562302
Molecular FormulaC24H13Cl5F3NO2
Molecular Weight581.63 g/mol
Exact Mass578.93
IUPAC Name2,2-dichloro-N-[4-chloro-3-[2-(2,3,4-trifluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Cc1ccc(F)c(F)c1F)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C24H13Cl5F3NO2/c25-12-5-11(6-13(26)8-12)19-20(24(19,28)29)23(35)33-14-2-3-16(27)15(9-14)18(34)7-10-1-4-17(30)22(32)21(10)31/h1-6,8-9,19-20H,7H2,(H,33,35)
InChIKeyMVFQJPCQZQUZSY-UHFFFAOYSA-N
XLogP8.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.63
LogP ≤ 58.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-(4-amino-2-fluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 160594940
2,2-dichloro-N-[4-chloro-3-[2-[2-fluoro-4-(methylamino)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 148806850
2,2-dichloro-N-[4-chloro-3-[2-[3,4-difluoro-5-(1-fluoroethenyl)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 147576133
3-(3-bromo-5-chlorophenyl)-2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]phenyl]cyclopropane-1-carboxamide
CID 152789837
2,2-dichloro-N-[4-chloro-3-[2-(3,5-difluoro-2-pyridinyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 147869881
N-[3-[2-(3-amino-2,4-difluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropane-1-carboxamide
CID 153033847
trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]phenyl]-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
CID 147715435
[4-[2-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2-oxoethyl]phenyl]azanium chloride
CID 158483690
trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[3-(3-cyclopropyl-2-oxopropyl)-2,4-difluorophenyl]acetyl]phenyl]-3-(3,4,5-trichlorophenyl)cyclopropane-1-carboxamide
CID 161046785
2-chloro-N-(4-chlorophenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122619017
N-[3-[2-(3-amino-2,4-difluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-[3-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropane-1-carboxamide
CID 159310695
trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-[3-(3,3-difluoro-2-oxopropyl)-2,4-difluorophenyl]acetyl]-5-fluorophenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 159335139

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[4-chloro-3-[2-(2,3,4-trifluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[4-chloro-3-[2-(2,3,4-trifluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide (CID 148562302) is 2,2-dichloro-N-[4-chloro-3-[2-(2,3,4-trifluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[4-chloro-3-[2-(2,3,4-trifluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[4-chloro-3-[2-(2,3,4-trifluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide is O=C(Cc1ccc(F)c(F)c1F)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl.
What is the InChIKey of 2,2-dichloro-N-[4-chloro-3-[2-(2,3,4-trifluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is MVFQJPCQZQUZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13Cl5F3NO2/c25-12-5-11(6-13(26)8-12)19-20(24(19,28)29)23(35)33-14-2-3-16(27)15(9-14)18(34)7-10-1-4-17(30)22(32)21(10)31/h1-6,8-9,19-20H,7H2,(H,33,35).
What are the key properties of 2,2-dichloro-N-[4-chloro-3-[2-(2,3,4-trifluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
2,2-dichloro-N-[4-chloro-3-[2-(2,3,4-trifluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 581.63 g/mol, XLogP of 8.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[4-chloro-3-[2-(2,3,4-trifluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 148562302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).