(Z)-3-[butyl(methyl)amino]-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide

C15H17Cl2N3O — CID 108828936

IUPAC(Z)-3-[butyl(methyl)amino]-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide
SMILESCCCCN(C)/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2N3O/c1-3-4-7-20(2)10-11(9-18)15(21)19-14-6-5-12(16)8-13(14)17/h5-6,8,10H,3-4,7H2,1-2H3,(H,19,21)/b11-10-
InChIKeyINDDLCDTNVYVTB-KHPPLWFESA-N
MW326.23 g/mol
LogP4.07
Rot. Bonds6

About (Z)-3-[butyl(methyl)amino]-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide

(Z)-3-[butyl(methyl)amino]-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide (PubChem CID 108828936) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is (Z)-3-[butyl(methyl)amino]-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[butyl(methyl)amino]-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide
PubChem CID108828936
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name(Z)-3-[butyl(methyl)amino]-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide
SMILESCCCCN(C)/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2N3O/c1-3-4-7-20(2)10-11(9-18)15(21)19-14-6-5-12(16)8-13(14)17/h5-6,8,10H,3-4,7H2,1-2H3,(H,19,21)/b11-10-
InChIKeyINDDLCDTNVYVTB-KHPPLWFESA-N
XLogP4.07
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[butyl(methyl)amino]-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 108860505
(Z)-3-[butyl(methyl)amino]-N-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enamide
CID 108853829
(Z)-3-[3-aminopropyl(formyl)amino]-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide
CID 108828939
(Z)-N-(5-chloro-2-methylphenyl)-2-cyano-3-[2-hydroxyethyl(methyl)amino]prop-2-enamide
CID 108850091
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(dipropylamino)prop-2-enamide
CID 108825593
(Z)-3-[butyl(methyl)amino]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
CID 108827455
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-[4-(diethylamino)anilino]prop-2-enamide
CID 108828963
(Z)-N-(4-bromophenyl)-3-[butyl(methyl)amino]-2-cyanoprop-2-enamide
CID 108815898
(Z)-3-[butyl(methyl)amino]-2-cyano-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
CID 108852710
(Z)-2-cyano-3-(dibenzylamino)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 108828890
(Z)-3-[butyl(methyl)amino]-N-(4-butylphenyl)-2-cyanoprop-2-enamide
CID 108828201
(Z)-2-cyano-3-(dibutylamino)-N-(2,3-dichlorophenyl)prop-2-enamide
CID 108825179

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[butyl(methyl)amino]-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of (Z)-3-[butyl(methyl)amino]-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide (CID 108828936) is (Z)-3-[butyl(methyl)amino]-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-[butyl(methyl)amino]-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-[butyl(methyl)amino]-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide is CCCCN(C)/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of (Z)-3-[butyl(methyl)amino]-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide?
The InChIKey is INDDLCDTNVYVTB-KHPPLWFESA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c1-3-4-7-20(2)10-11(9-18)15(21)19-14-6-5-12(16)8-13(14)17/h5-6,8,10H,3-4,7H2,1-2H3,(H,19,21)/b11-10-.
What are the key properties of (Z)-3-[butyl(methyl)amino]-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide?
(Z)-3-[butyl(methyl)amino]-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide has a molecular weight of 326.23 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[butyl(methyl)amino]-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 108828936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).