4-chloro-N-[1-[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropyl]ethenyl]-3-methylaniline

C20H17Cl4N — CID 138653788

IUPAC4-chloro-N-[1-[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropyl]ethenyl]-3-methylaniline
SMILESC=Cc1cc(Cl)cc(C2C(C(=C)Nc3ccc(Cl)c(C)c3)C2(Cl)Cl)c1
InChIInChI=1S/C20H17Cl4N/c1-4-13-8-14(10-15(21)9-13)19-18(20(19,23)24)12(3)25-16-5-6-17(22)11(2)7-16/h4-10,18-19,25H,1,3H2,2H3
InChIKeyOMTORAWZUBSPID-UHFFFAOYSA-N
MW413.18 g/mol
LogP7.46
Rot. Bonds5

About 4-chloro-N-[1-[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropyl]ethenyl]-3-methylaniline

4-chloro-N-[1-[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropyl]ethenyl]-3-methylaniline (PubChem CID 138653788) has the molecular formula C20H17Cl4N and a molecular weight of 413.18 g/mol. Its IUPAC name is 4-chloro-N-[1-[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropyl]ethenyl]-3-methylaniline.

Molecular Properties

Compound Name4-chloro-N-[1-[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropyl]ethenyl]-3-methylaniline
PubChem CID138653788
Molecular FormulaC20H17Cl4N
Molecular Weight413.18 g/mol
Exact Mass411.01
IUPAC Name4-chloro-N-[1-[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropyl]ethenyl]-3-methylaniline
SMILESC=Cc1cc(Cl)cc(C2C(C(=C)Nc3ccc(Cl)c(C)c3)C2(Cl)Cl)c1
InChIInChI=1S/C20H17Cl4N/c1-4-13-8-14(10-15(21)9-13)19-18(20(19,23)24)12(3)25-16-5-6-17(22)11(2)7-16/h4-10,18-19,25H,1,3H2,2H3
InChIKeyOMTORAWZUBSPID-UHFFFAOYSA-N
XLogP7.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.18
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-3-(3-chloro-5-ethenylphenyl)-N-(4-chloro-3-formylphenyl)cyclopropane-1-carboxamide
CID 138653298
(3R)-2,2-dichloro-N-(4-chloro-3-methylphenyl)-3-(3,4,5-trichlorophenyl)cyclopropane-1-carboxamide
CID 138653681
N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-3,4-dimethylaniline
CID 134441588
2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 122619470
N-[1-[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropyl]ethenyl]-4-methyl-3-[3-(methylamino)phenyl]aniline
CID 138653517
2,2-dibromo-N-(4-chloro-3-methylphenyl)-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 138653070
4-chloro-N-[1-[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropyl]ethenyl]-3-[4-(3-fluoro-3-methylbutyl)phenyl]aniline
CID 138653468
N-[1-[2-chloro-3-(3,5-dimethylphenyl)-2-methylcyclopropyl]ethenyl]-3-ethenylaniline
CID 138652957
4-[1-[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropyl]ethenylamino]-2-[1-[(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)amino]ethenyl]phenol
CID 138653535
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(1-methylcyclopropyl)benzamide
CID 122615254
N-[1-[2,2-dichloro-3-(3,4-dimethylphenyl)cyclopropyl]ethenyl]-3-(2,4-dimethylphenyl)-4-methylaniline
CID 134441610
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 4-chloro-N-[1-[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropyl]ethenyl]-3-methylaniline?
The IUPAC name of 4-chloro-N-[1-[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropyl]ethenyl]-3-methylaniline (CID 138653788) is 4-chloro-N-[1-[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropyl]ethenyl]-3-methylaniline.
What is the SMILES notation for 4-chloro-N-[1-[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropyl]ethenyl]-3-methylaniline?
The canonical SMILES for 4-chloro-N-[1-[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropyl]ethenyl]-3-methylaniline is C=Cc1cc(Cl)cc(C2C(C(=C)Nc3ccc(Cl)c(C)c3)C2(Cl)Cl)c1.
What is the InChIKey of 4-chloro-N-[1-[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropyl]ethenyl]-3-methylaniline?
The InChIKey is OMTORAWZUBSPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl4N/c1-4-13-8-14(10-15(21)9-13)19-18(20(19,23)24)12(3)25-16-5-6-17(22)11(2)7-16/h4-10,18-19,25H,1,3H2,2H3.
What are the key properties of 4-chloro-N-[1-[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropyl]ethenyl]-3-methylaniline?
4-chloro-N-[1-[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropyl]ethenyl]-3-methylaniline has a molecular weight of 413.18 g/mol, XLogP of 7.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropyl]ethenyl]-3-methylaniline is sourced from PubChem (CID 138653788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).