methyl 2-(4-chloro-N-(4-chloro-2-methylphenyl)-2-methylanilino)propanoate

C18H19Cl2NO2 — CID 158906042

IUPACmethyl 2-(4-chloro-N-(4-chloro-2-methylphenyl)-2-methylanilino)propanoate
SMILESCOC(=O)C(C)N(c1ccc(Cl)cc1C)c1ccc(Cl)cc1C
InChIInChI=1S/C18H19Cl2NO2/c1-11-9-14(19)5-7-16(11)21(13(3)18(22)23-4)17-8-6-15(20)10-12(17)2/h5-10,13H,1-4H3
InChIKeyGJILJKPYKZCNFH-UHFFFAOYSA-N
MW352.26 g/mol
LogP5.31
Rot. Bonds4

About methyl 2-(4-chloro-N-(4-chloro-2-methylphenyl)-2-methylanilino)propanoate

methyl 2-(4-chloro-N-(4-chloro-2-methylphenyl)-2-methylanilino)propanoate (PubChem CID 158906042) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is methyl 2-(4-chloro-N-(4-chloro-2-methylphenyl)-2-methylanilino)propanoate.

Molecular Properties

Compound Namemethyl 2-(4-chloro-N-(4-chloro-2-methylphenyl)-2-methylanilino)propanoate
PubChem CID158906042
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Namemethyl 2-(4-chloro-N-(4-chloro-2-methylphenyl)-2-methylanilino)propanoate
SMILESCOC(=O)C(C)N(c1ccc(Cl)cc1C)c1ccc(Cl)cc1C
InChIInChI=1S/C18H19Cl2NO2/c1-11-9-14(19)5-7-16(11)21(13(3)18(22)23-4)17-8-6-15(20)10-12(17)2/h5-10,13H,1-4H3
InChIKeyGJILJKPYKZCNFH-UHFFFAOYSA-N
XLogP5.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.26
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-chloro-2-methylanilino)propanoate
CID 60666871
methyl (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoate
CID 7378362
methyl 2-(2,5-dichloro-N-methylsulfonylanilino)propanoate
CID 2985850
methyl 2-[[2-(4-chloro-2-methylphenyl)acetyl]amino]propanoate
CID 22104881
methyl (2S)-3-(4-chlorophenyl)-2-methylpropanoate
CID 40999700
[1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium
CID 4656134
[(1R)-1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium
CID 7067068
N-(2,4-dichlorophenyl)-N-propan-2-ylcarbamoyl chloride
CID 56949574
methyl 2-[(4-chloro-2-methylphenyl)methylamino]-4-methylpentanoate
CID 103275372
methyl (2S)-2-[(4-chloro-5-fluoro-2-methylphenyl)methyl-methylamino]propanoate
CID 90393866
3-[(4-chloro-2-methylphenyl)methylamino]butanamide
CID 104854330
(2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide
CID 8709006

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chloro-N-(4-chloro-2-methylphenyl)-2-methylanilino)propanoate?
The IUPAC name of methyl 2-(4-chloro-N-(4-chloro-2-methylphenyl)-2-methylanilino)propanoate (CID 158906042) is methyl 2-(4-chloro-N-(4-chloro-2-methylphenyl)-2-methylanilino)propanoate.
What is the SMILES notation for methyl 2-(4-chloro-N-(4-chloro-2-methylphenyl)-2-methylanilino)propanoate?
The canonical SMILES for methyl 2-(4-chloro-N-(4-chloro-2-methylphenyl)-2-methylanilino)propanoate is COC(=O)C(C)N(c1ccc(Cl)cc1C)c1ccc(Cl)cc1C.
What is the InChIKey of methyl 2-(4-chloro-N-(4-chloro-2-methylphenyl)-2-methylanilino)propanoate?
The InChIKey is GJILJKPYKZCNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-11-9-14(19)5-7-16(11)21(13(3)18(22)23-4)17-8-6-15(20)10-12(17)2/h5-10,13H,1-4H3.
What are the key properties of methyl 2-(4-chloro-N-(4-chloro-2-methylphenyl)-2-methylanilino)propanoate?
methyl 2-(4-chloro-N-(4-chloro-2-methylphenyl)-2-methylanilino)propanoate has a molecular weight of 352.26 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chloro-N-(4-chloro-2-methylphenyl)-2-methylanilino)propanoate is sourced from PubChem (CID 158906042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).