(Z)-2,3-dichloro-N-(3,4-dimethylphenyl)-N'-methylbut-2-enediamide

C13H14Cl2N2O2 — CID 15592611

IUPAC(Z)-2,3-dichloro-N-(3,4-dimethylphenyl)-N'-methylbut-2-enediamide
SMILESCNC(=O)/C(Cl)=C(/Cl)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C13H14Cl2N2O2/c1-7-4-5-9(6-8(7)2)17-13(19)11(15)10(14)12(18)16-3/h4-6H,1-3H3,(H,16,18)(H,17,19)/b11-10-
InChIKeyBVUKXBYWQROAPC-KHPPLWFESA-N
MW301.17 g/mol
LogP2.68
Rot. Bonds3

About (Z)-2,3-dichloro-N-(3,4-dimethylphenyl)-N'-methylbut-2-enediamide

(Z)-2,3-dichloro-N-(3,4-dimethylphenyl)-N'-methylbut-2-enediamide (PubChem CID 15592611) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is (Z)-2,3-dichloro-N-(3,4-dimethylphenyl)-N'-methylbut-2-enediamide.

Molecular Properties

Compound Name(Z)-2,3-dichloro-N-(3,4-dimethylphenyl)-N'-methylbut-2-enediamide
PubChem CID15592611
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC Name(Z)-2,3-dichloro-N-(3,4-dimethylphenyl)-N'-methylbut-2-enediamide
SMILESCNC(=O)/C(Cl)=C(/Cl)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C13H14Cl2N2O2/c1-7-4-5-9(6-8(7)2)17-13(19)11(15)10(14)12(18)16-3/h4-6H,1-3H3,(H,16,18)(H,17,19)/b11-10-
InChIKeyBVUKXBYWQROAPC-KHPPLWFESA-N
XLogP2.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
methyl 2-(3,4-dimethylanilino)-2-oxoacetate
CID 11557524
sodium (Z)-2,3-dichloro-4-(3-chloro-4-methylanilino)-4-oxobut-2-enoate
CID 134122959
2-chloro-N-(3,4-dimethylphenyl)-3-phenylprop-2-enamide
CID 686992
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967928
1-cyano-N-(3,4-dimethylphenyl)formamide
CID 4056837
4-(3,4-dimethylanilino)-3-methyl-4-oxobut-2-enoate
CID 7157944
N'-[3,5-bis(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523144
N'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide
CID 3832963
dimethyl 2,3-bis(3,4-dimethylanilino)but-2-enedioate
CID 71353836
N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide
CID 100707473

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-dichloro-N-(3,4-dimethylphenyl)-N'-methylbut-2-enediamide?
The IUPAC name of (Z)-2,3-dichloro-N-(3,4-dimethylphenyl)-N'-methylbut-2-enediamide (CID 15592611) is (Z)-2,3-dichloro-N-(3,4-dimethylphenyl)-N'-methylbut-2-enediamide.
What is the SMILES notation for (Z)-2,3-dichloro-N-(3,4-dimethylphenyl)-N'-methylbut-2-enediamide?
The canonical SMILES for (Z)-2,3-dichloro-N-(3,4-dimethylphenyl)-N'-methylbut-2-enediamide is CNC(=O)/C(Cl)=C(/Cl)C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of (Z)-2,3-dichloro-N-(3,4-dimethylphenyl)-N'-methylbut-2-enediamide?
The InChIKey is BVUKXBYWQROAPC-KHPPLWFESA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c1-7-4-5-9(6-8(7)2)17-13(19)11(15)10(14)12(18)16-3/h4-6H,1-3H3,(H,16,18)(H,17,19)/b11-10-.
What are the key properties of (Z)-2,3-dichloro-N-(3,4-dimethylphenyl)-N'-methylbut-2-enediamide?
(Z)-2,3-dichloro-N-(3,4-dimethylphenyl)-N'-methylbut-2-enediamide has a molecular weight of 301.17 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-dichloro-N-(3,4-dimethylphenyl)-N'-methylbut-2-enediamide is sourced from PubChem (CID 15592611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).