N-[1-[2,2-dichloro-3-(3-chlorophenyl)cyclopropyl]ethenyl]-4-fluoro-3-[1-(N-methylanilino)ethenyl]aniline

C26H22Cl3FN2 — CID 138652572

IUPACN-[1-[2,2-dichloro-3-(3-chlorophenyl)cyclopropyl]ethenyl]-4-fluoro-3-[1-(N-methylanilino)ethenyl]aniline
SMILESC=C(Nc1ccc(F)c(C(=C)N(C)c2ccccc2)c1)C1C(c2cccc(Cl)c2)C1(Cl)Cl
InChIInChI=1S/C26H22Cl3FN2/c1-16(24-25(26(24,28)29)18-8-7-9-19(27)14-18)31-20-12-13-23(30)22(15-20)17(2)32(3)21-10-5-4-6-11-21/h4-15,24-25,31H,1-2H2,3H3
InChIKeyCBLXGFYOMLWTGB-UHFFFAOYSA-N
MW487.83 g/mol
LogP8.10
Rot. Bonds7

About N-[1-[2,2-dichloro-3-(3-chlorophenyl)cyclopropyl]ethenyl]-4-fluoro-3-[1-(N-methylanilino)ethenyl]aniline

N-[1-[2,2-dichloro-3-(3-chlorophenyl)cyclopropyl]ethenyl]-4-fluoro-3-[1-(N-methylanilino)ethenyl]aniline (PubChem CID 138652572) has the molecular formula C26H22Cl3FN2 and a molecular weight of 487.83 g/mol. Its IUPAC name is N-[1-[2,2-dichloro-3-(3-chlorophenyl)cyclopropyl]ethenyl]-4-fluoro-3-[1-(N-methylanilino)ethenyl]aniline.

Molecular Properties

Compound NameN-[1-[2,2-dichloro-3-(3-chlorophenyl)cyclopropyl]ethenyl]-4-fluoro-3-[1-(N-methylanilino)ethenyl]aniline
PubChem CID138652572
Molecular FormulaC26H22Cl3FN2
Molecular Weight487.83 g/mol
Exact Mass486.08
IUPAC NameN-[1-[2,2-dichloro-3-(3-chlorophenyl)cyclopropyl]ethenyl]-4-fluoro-3-[1-(N-methylanilino)ethenyl]aniline
SMILESC=C(Nc1ccc(F)c(C(=C)N(C)c2ccccc2)c1)C1C(c2cccc(Cl)c2)C1(Cl)Cl
InChIInChI=1S/C26H22Cl3FN2/c1-16(24-25(26(24,28)29)18-8-7-9-19(27)14-18)31-20-12-13-23(30)22(15-20)17(2)32(3)21-10-5-4-6-11-21/h4-15,24-25,31H,1-2H2,3H3
InChIKeyCBLXGFYOMLWTGB-UHFFFAOYSA-N
XLogP8.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.83
LogP ≤ 58.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-2-fluoro-N-methyl-N-phenylbenzamide
CID 122617932
N-[1-[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropyl]ethenyl]-4-methyl-3-[3-(methylamino)phenyl]aniline
CID 138653517
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(4-chloro-3-fluorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-N-methylbenzamide
CID 122617816
4-chloro-N-[1-[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropyl]ethenyl]-3-methylaniline
CID 138653788
N-[1-[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropyl]ethenyl]-3-[1-(2,4-difluoroanilino)ethenyl]-4-fluoro-5-methylaniline
CID 134441797
5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide
CID 122617448
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
N-[1-[5-[1-[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropyl]ethenylamino]-2-methylphenyl]ethenyl]-6-fluoro-3H-indol-5-amine
CID 138652759
2-chloro-5-[(2,2-dichloro-3-phenylcyclopropanecarbonyl)amino]-N-(4-fluorophenyl)benzamide
CID 122630258
5-[[2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide
CID 122618398
5-[[(1S,3S)-3-(3-bromo-5-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)-N-methylbenzamide
CID 122618370
2-chloro-5-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylphenyl)benzamide
CID 175133019

Frequently Asked Questions

What is the IUPAC name of N-[1-[2,2-dichloro-3-(3-chlorophenyl)cyclopropyl]ethenyl]-4-fluoro-3-[1-(N-methylanilino)ethenyl]aniline?
The IUPAC name of N-[1-[2,2-dichloro-3-(3-chlorophenyl)cyclopropyl]ethenyl]-4-fluoro-3-[1-(N-methylanilino)ethenyl]aniline (CID 138652572) is N-[1-[2,2-dichloro-3-(3-chlorophenyl)cyclopropyl]ethenyl]-4-fluoro-3-[1-(N-methylanilino)ethenyl]aniline.
What is the SMILES notation for N-[1-[2,2-dichloro-3-(3-chlorophenyl)cyclopropyl]ethenyl]-4-fluoro-3-[1-(N-methylanilino)ethenyl]aniline?
The canonical SMILES for N-[1-[2,2-dichloro-3-(3-chlorophenyl)cyclopropyl]ethenyl]-4-fluoro-3-[1-(N-methylanilino)ethenyl]aniline is C=C(Nc1ccc(F)c(C(=C)N(C)c2ccccc2)c1)C1C(c2cccc(Cl)c2)C1(Cl)Cl.
What is the InChIKey of N-[1-[2,2-dichloro-3-(3-chlorophenyl)cyclopropyl]ethenyl]-4-fluoro-3-[1-(N-methylanilino)ethenyl]aniline?
The InChIKey is CBLXGFYOMLWTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl3FN2/c1-16(24-25(26(24,28)29)18-8-7-9-19(27)14-18)31-20-12-13-23(30)22(15-20)17(2)32(3)21-10-5-4-6-11-21/h4-15,24-25,31H,1-2H2,3H3.
What are the key properties of N-[1-[2,2-dichloro-3-(3-chlorophenyl)cyclopropyl]ethenyl]-4-fluoro-3-[1-(N-methylanilino)ethenyl]aniline?
N-[1-[2,2-dichloro-3-(3-chlorophenyl)cyclopropyl]ethenyl]-4-fluoro-3-[1-(N-methylanilino)ethenyl]aniline has a molecular weight of 487.83 g/mol, XLogP of 8.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2,2-dichloro-3-(3-chlorophenyl)cyclopropyl]ethenyl]-4-fluoro-3-[1-(N-methylanilino)ethenyl]aniline is sourced from PubChem (CID 138652572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).