4-chloro-N-[1-[2-(3-chloro-5-methylphenyl)-3-methylcyclopropyl]ethenyl]-3-prop-1-en-2-ylaniline

C22H23Cl2N — CID 138653193

IUPAC4-chloro-N-[1-[2-(3-chloro-5-methylphenyl)-3-methylcyclopropyl]ethenyl]-3-prop-1-en-2-ylaniline
SMILESC=C(C)c1cc(NC(=C)C2C(C)C2c2cc(C)cc(Cl)c2)ccc1Cl
InChIInChI=1S/C22H23Cl2N/c1-12(2)19-11-18(6-7-20(19)24)25-15(5)21-14(4)22(21)16-8-13(3)9-17(23)10-16/h6-11,14,21-22,25H,1,5H2,2-4H3
InChIKeyUUYSKNJQVYWVSU-UHFFFAOYSA-N
MW372.34 g/mol
LogP7.31
Rot. Bonds5

About 4-chloro-N-[1-[2-(3-chloro-5-methylphenyl)-3-methylcyclopropyl]ethenyl]-3-prop-1-en-2-ylaniline

4-chloro-N-[1-[2-(3-chloro-5-methylphenyl)-3-methylcyclopropyl]ethenyl]-3-prop-1-en-2-ylaniline (PubChem CID 138653193) has the molecular formula C22H23Cl2N and a molecular weight of 372.34 g/mol. Its IUPAC name is 4-chloro-N-[1-[2-(3-chloro-5-methylphenyl)-3-methylcyclopropyl]ethenyl]-3-prop-1-en-2-ylaniline.

Molecular Properties

Compound Name4-chloro-N-[1-[2-(3-chloro-5-methylphenyl)-3-methylcyclopropyl]ethenyl]-3-prop-1-en-2-ylaniline
PubChem CID138653193
Molecular FormulaC22H23Cl2N
Molecular Weight372.34 g/mol
Exact Mass371.12
IUPAC Name4-chloro-N-[1-[2-(3-chloro-5-methylphenyl)-3-methylcyclopropyl]ethenyl]-3-prop-1-en-2-ylaniline
SMILESC=C(C)c1cc(NC(=C)C2C(C)C2c2cc(C)cc(Cl)c2)ccc1Cl
InChIInChI=1S/C22H23Cl2N/c1-12(2)19-11-18(6-7-20(19)24)25-15(5)21-14(4)22(21)16-8-13(3)9-17(23)10-16/h6-11,14,21-22,25H,1,5H2,2-4H3
InChIKeyUUYSKNJQVYWVSU-UHFFFAOYSA-N
XLogP7.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.34
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-3,4-dimethylaniline
CID 134441588
N-[1-[2-chloro-3-(3-chloro-5-methylphenyl)-2-methylcyclopropyl]ethenyl]-4-methyl-3-[1-(2-methylprop-2-enylamino)ethenyl]aniline
CID 134441608
N-[1-(2,2-dimethylcyclopropyl)ethenyl]-4-methyl-3-prop-1-en-2-ylaniline
CID 138653491
N-[1-(2,2-dimethylcyclopropyl)ethenyl]-4-fluoro-3-prop-1-en-2-ylaniline
CID 134441858
4-chloro-N-[1-[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropyl]ethenyl]-3-[4-(3-fluoro-3-methylbutyl)phenyl]aniline
CID 138653468
2-[1-[3-[1-(3-amino-6-methylindazol-1-yl)ethenyl]-4-chloroanilino]ethenyl]-1-chloro-3-(3,5-dichlorophenyl)cyclopropan-1-ol
CID 138653538
2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropanecarbonyl]amino]-N-(2-oxohexan-3-yl)benzamide
CID 138653684
N-[1-[2,2-dichloro-3-(3-chloro-5-methylphenyl)cyclopropyl]ethenyl]-4-methyl-3-[3-(methylamino)phenyl]aniline
CID 138653517
4-chloro-N-[1-[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropyl]ethenyl]-3-methylaniline
CID 138653788
2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 138653272
N-[1-(2-chloro-5-methylphenyl)ethenyl]-4-methylaniline
CID 138651987
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[2-(3-chloro-5-methylphenyl)-3-methylcyclopropyl]ethenyl]-3-prop-1-en-2-ylaniline?
The IUPAC name of 4-chloro-N-[1-[2-(3-chloro-5-methylphenyl)-3-methylcyclopropyl]ethenyl]-3-prop-1-en-2-ylaniline (CID 138653193) is 4-chloro-N-[1-[2-(3-chloro-5-methylphenyl)-3-methylcyclopropyl]ethenyl]-3-prop-1-en-2-ylaniline.
What is the SMILES notation for 4-chloro-N-[1-[2-(3-chloro-5-methylphenyl)-3-methylcyclopropyl]ethenyl]-3-prop-1-en-2-ylaniline?
The canonical SMILES for 4-chloro-N-[1-[2-(3-chloro-5-methylphenyl)-3-methylcyclopropyl]ethenyl]-3-prop-1-en-2-ylaniline is C=C(C)c1cc(NC(=C)C2C(C)C2c2cc(C)cc(Cl)c2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[1-[2-(3-chloro-5-methylphenyl)-3-methylcyclopropyl]ethenyl]-3-prop-1-en-2-ylaniline?
The InChIKey is UUYSKNJQVYWVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N/c1-12(2)19-11-18(6-7-20(19)24)25-15(5)21-14(4)22(21)16-8-13(3)9-17(23)10-16/h6-11,14,21-22,25H,1,5H2,2-4H3.
What are the key properties of 4-chloro-N-[1-[2-(3-chloro-5-methylphenyl)-3-methylcyclopropyl]ethenyl]-3-prop-1-en-2-ylaniline?
4-chloro-N-[1-[2-(3-chloro-5-methylphenyl)-3-methylcyclopropyl]ethenyl]-3-prop-1-en-2-ylaniline has a molecular weight of 372.34 g/mol, XLogP of 7.31, 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-(3-chloro-5-methylphenyl)-3-methylcyclopropyl]ethenyl]-3-prop-1-en-2-ylaniline is sourced from PubChem (CID 138653193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).