N-[3-[2-(6-amino-2-pyridinyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide

C23H16Cl5N3O2 — CID 148932292

IUPACN-[3-[2-(6-amino-2-pyridinyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
SMILESNc1cccc(CC(=O)c2cc(NC(=O)C3C(c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)n1
InChIInChI=1S/C23H16Cl5N3O2/c24-12-6-11(7-13(25)8-12)20-21(23(20,27)28)22(33)31-15-4-5-17(26)16(9-15)18(32)10-14-2-1-3-19(29)30-14/h1-9,20-21H,10H2,(H2,29,30)(H,31,33)
InChIKeyPMEFNXMBGXYCMJ-UHFFFAOYSA-N
MW543.67 g/mol
LogP6.58
Rot. Bonds6

About N-[3-[2-(6-amino-2-pyridinyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide

N-[3-[2-(6-amino-2-pyridinyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide (PubChem CID 148932292) has the molecular formula C23H16Cl5N3O2 and a molecular weight of 543.67 g/mol. Its IUPAC name is N-[3-[2-(6-amino-2-pyridinyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(6-amino-2-pyridinyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
PubChem CID148932292
Molecular FormulaC23H16Cl5N3O2
Molecular Weight543.67 g/mol
Exact Mass540.97
IUPAC NameN-[3-[2-(6-amino-2-pyridinyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
SMILESNc1cccc(CC(=O)c2cc(NC(=O)C3C(c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)n1
InChIInChI=1S/C23H16Cl5N3O2/c24-12-6-11(7-13(25)8-12)20-21(23(20,27)28)22(33)31-15-4-5-17(26)16(9-15)18(32)10-14-2-1-3-19(29)30-14/h1-9,20-21H,10H2,(H2,29,30)(H,31,33)
InChIKeyPMEFNXMBGXYCMJ-UHFFFAOYSA-N
XLogP6.58
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.67
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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
[4-[2-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2-oxoethyl]phenyl]azanium chloride
CID 158483690
2,2-dichloro-N-[4-chloro-3-[2-(2,3,4-trifluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 148562302
2,2-dichloro-N-[4-chloro-3-[2-(3,5-difluoro-2-pyridinyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 147869881
[4-[2-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2-oxoethyl]phenyl] thiocyanate
CID 152911301
tert-butyl 2-[6-[2-[2-chloro-5-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]phenyl]-2-oxoethyl]-2-pyridinyl]acetate
CID 162207068
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-(4-methylsulfonylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 157067730
N-(6-acetamido-2-pyridinyl)-2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122618295
2,2-dichloro-N-[4-chloro-3-[2-(1-cyanocyclopropyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 146795788
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenoxybenzamide
CID 122621267
2-chloro-N-(4-chlorophenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122619017

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(6-amino-2-pyridinyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-[2-(6-amino-2-pyridinyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide (CID 148932292) is N-[3-[2-(6-amino-2-pyridinyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-[2-(6-amino-2-pyridinyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-[2-(6-amino-2-pyridinyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide is Nc1cccc(CC(=O)c2cc(NC(=O)C3C(c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)n1.
What is the InChIKey of N-[3-[2-(6-amino-2-pyridinyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is PMEFNXMBGXYCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl5N3O2/c24-12-6-11(7-13(25)8-12)20-21(23(20,27)28)22(33)31-15-4-5-17(26)16(9-15)18(32)10-14-2-1-3-19(29)30-14/h1-9,20-21H,10H2,(H2,29,30)(H,31,33).
What are the key properties of N-[3-[2-(6-amino-2-pyridinyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
N-[3-[2-(6-amino-2-pyridinyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 543.67 g/mol, XLogP of 6.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(6-amino-2-pyridinyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 148932292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).