2,2-dichloro-3-(3-chloro-5-ethenylphenyl)-N-(4-chloro-3-formylphenyl)cyclopropane-1-carboxamide

C19H13Cl4NO2 — CID 138653298

IUPAC2,2-dichloro-3-(3-chloro-5-ethenylphenyl)-N-(4-chloro-3-formylphenyl)cyclopropane-1-carboxamide
SMILESC=Cc1cc(Cl)cc(C2C(C(=O)Nc3ccc(Cl)c(C=O)c3)C2(Cl)Cl)c1
InChIInChI=1S/C19H13Cl4NO2/c1-2-10-5-11(7-13(20)6-10)16-17(19(16,22)23)18(26)24-14-3-4-15(21)12(8-14)9-25/h2-9,16-17H,1H2,(H,24,26)
InChIKeyCZMJEEVZNMJZMQ-UHFFFAOYSA-N
MW429.13 g/mol
LogP5.97
Rot. Bonds5

About 2,2-dichloro-3-(3-chloro-5-ethenylphenyl)-N-(4-chloro-3-formylphenyl)cyclopropane-1-carboxamide

2,2-dichloro-3-(3-chloro-5-ethenylphenyl)-N-(4-chloro-3-formylphenyl)cyclopropane-1-carboxamide (PubChem CID 138653298) has the molecular formula C19H13Cl4NO2 and a molecular weight of 429.13 g/mol. Its IUPAC name is 2,2-dichloro-3-(3-chloro-5-ethenylphenyl)-N-(4-chloro-3-formylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-3-(3-chloro-5-ethenylphenyl)-N-(4-chloro-3-formylphenyl)cyclopropane-1-carboxamide
PubChem CID138653298
Molecular FormulaC19H13Cl4NO2
Molecular Weight429.13 g/mol
Exact Mass426.97
IUPAC Name2,2-dichloro-3-(3-chloro-5-ethenylphenyl)-N-(4-chloro-3-formylphenyl)cyclopropane-1-carboxamide
SMILESC=Cc1cc(Cl)cc(C2C(C(=O)Nc3ccc(Cl)c(C=O)c3)C2(Cl)Cl)c1
InChIInChI=1S/C19H13Cl4NO2/c1-2-10-5-11(7-13(20)6-10)16-17(19(16,22)23)18(26)24-14-3-4-15(21)12(8-14)9-25/h2-9,16-17H,1H2,(H,24,26)
InChIKeyCZMJEEVZNMJZMQ-UHFFFAOYSA-N
XLogP5.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.13
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 122619470
4-chloro-N-[1-[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropyl]ethenyl]-3-methylaniline
CID 138653788
2-chloro-N-(4-chlorophenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122619017
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-fluoro-4-formylphenyl)benzamide
CID 122630121
2-chloro-N-(4-chloro-3-hydroxyphenyl)-5-[[(3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 146269473
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(1-methylcyclopropyl)benzamide
CID 122615254
2-chloro-N-(1-cyanocyclopropyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122615562
trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[(2,2-difluorocyclopropanecarbonyl)amino]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 165144702
2,2-dichloro-N-[4-chloro-3-[(2-chloro-2,2-difluoroacetyl)amino]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 167224990
trans-(1R,3R)-N-[3-[[acetyl(methyl)amino]carbamoyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 140860175
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4,6-trifluorophenyl)benzamide
CID 122617537
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(oxetan-3-yl)benzamide
CID 122615333

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-3-(3-chloro-5-ethenylphenyl)-N-(4-chloro-3-formylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-3-(3-chloro-5-ethenylphenyl)-N-(4-chloro-3-formylphenyl)cyclopropane-1-carboxamide (CID 138653298) is 2,2-dichloro-3-(3-chloro-5-ethenylphenyl)-N-(4-chloro-3-formylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-3-(3-chloro-5-ethenylphenyl)-N-(4-chloro-3-formylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-3-(3-chloro-5-ethenylphenyl)-N-(4-chloro-3-formylphenyl)cyclopropane-1-carboxamide is C=Cc1cc(Cl)cc(C2C(C(=O)Nc3ccc(Cl)c(C=O)c3)C2(Cl)Cl)c1.
What is the InChIKey of 2,2-dichloro-3-(3-chloro-5-ethenylphenyl)-N-(4-chloro-3-formylphenyl)cyclopropane-1-carboxamide?
The InChIKey is CZMJEEVZNMJZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl4NO2/c1-2-10-5-11(7-13(20)6-10)16-17(19(16,22)23)18(26)24-14-3-4-15(21)12(8-14)9-25/h2-9,16-17H,1H2,(H,24,26).
What are the key properties of 2,2-dichloro-3-(3-chloro-5-ethenylphenyl)-N-(4-chloro-3-formylphenyl)cyclopropane-1-carboxamide?
2,2-dichloro-3-(3-chloro-5-ethenylphenyl)-N-(4-chloro-3-formylphenyl)cyclopropane-1-carboxamide has a molecular weight of 429.13 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-3-(3-chloro-5-ethenylphenyl)-N-(4-chloro-3-formylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 138653298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).