N-[3-[2-(4-amino-2-fluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide

C24H16Cl5FN2O2 — CID 160594940

IUPACN-[3-[2-(4-amino-2-fluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
SMILESNc1ccc(CC(=O)c2cc(NC(=O)C3C(c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)c(F)c1
InChIInChI=1S/C24H16Cl5FN2O2/c25-13-5-12(6-14(26)8-13)21-22(24(21,28)29)23(34)32-16-3-4-18(27)17(10-16)20(33)7-11-1-2-15(31)9-19(11)30/h1-6,8-10,21-22H,7,31H2,(H,32,34)
InChIKeyRDMSUVHWZXMAFI-UHFFFAOYSA-N
MW560.67 g/mol
LogP7.32
Rot. Bonds6

About N-[3-[2-(4-amino-2-fluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide

N-[3-[2-(4-amino-2-fluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide (PubChem CID 160594940) has the molecular formula C24H16Cl5FN2O2 and a molecular weight of 560.67 g/mol. Its IUPAC name is N-[3-[2-(4-amino-2-fluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(4-amino-2-fluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
PubChem CID160594940
Molecular FormulaC24H16Cl5FN2O2
Molecular Weight560.67 g/mol
Exact Mass557.96
IUPAC NameN-[3-[2-(4-amino-2-fluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
SMILESNc1ccc(CC(=O)c2cc(NC(=O)C3C(c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)c(F)c1
InChIInChI=1S/C24H16Cl5FN2O2/c25-13-5-12(6-14(26)8-13)21-22(24(21,28)29)23(34)32-16-3-4-18(27)17(10-16)20(33)7-11-1-2-15(31)9-19(11)30/h1-6,8-10,21-22H,7,31H2,(H,32,34)
InChIKeyRDMSUVHWZXMAFI-UHFFFAOYSA-N
XLogP7.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.67
LogP ≤ 57.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-(2,3,4-trifluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 148562302
3-(3-bromo-5-chlorophenyl)-2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]phenyl]cyclopropane-1-carboxamide
CID 152789837
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
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
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
N-[3-[2-(6-amino-2-pyridinyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 148932292
[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)-N-[3-[2-(2-amino-4-fluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 149208417
2-chloro-N-(4-chlorophenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122619017
3-[3-bromo-5-(trifluoromethyl)phenyl]-2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]phenyl]cyclopropane-1-carboxamide
CID 147690367

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-amino-2-fluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-[2-(4-amino-2-fluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide (CID 160594940) is N-[3-[2-(4-amino-2-fluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-[2-(4-amino-2-fluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-[2-(4-amino-2-fluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide is Nc1ccc(CC(=O)c2cc(NC(=O)C3C(c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)c(F)c1.
What is the InChIKey of N-[3-[2-(4-amino-2-fluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is RDMSUVHWZXMAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl5FN2O2/c25-13-5-12(6-14(26)8-13)21-22(24(21,28)29)23(34)32-16-3-4-18(27)17(10-16)20(33)7-11-1-2-15(31)9-19(11)30/h1-6,8-10,21-22H,7,31H2,(H,32,34).
What are the key properties of N-[3-[2-(4-amino-2-fluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
N-[3-[2-(4-amino-2-fluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 560.67 g/mol, XLogP of 7.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-amino-2-fluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 160594940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).