2-cyano-N-(2,4-difluorophenyl)-3-(dimethylamino)-N-methylprop-2-enamide

C13H13F2N3O — CID 3611810

IUPAC2-cyano-N-(2,4-difluorophenyl)-3-(dimethylamino)-N-methylprop-2-enamide
SMILESCN(C)C=C(C#N)C(=O)N(C)c1ccc(F)cc1F
InChIInChI=1S/C13H13F2N3O/c1-17(2)8-9(7-16)13(19)18(3)12-5-4-10(14)6-11(12)15/h4-6,8H,1-3H3
InChIKeyZKLKRGMYRUXSKB-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.90
Rot. Bonds3

About 2-cyano-N-(2,4-difluorophenyl)-3-(dimethylamino)-N-methylprop-2-enamide

2-cyano-N-(2,4-difluorophenyl)-3-(dimethylamino)-N-methylprop-2-enamide (PubChem CID 3611810) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-cyano-N-(2,4-difluorophenyl)-3-(dimethylamino)-N-methylprop-2-enamide.

Molecular Properties

Compound Name2-cyano-N-(2,4-difluorophenyl)-3-(dimethylamino)-N-methylprop-2-enamide
PubChem CID3611810
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-cyano-N-(2,4-difluorophenyl)-3-(dimethylamino)-N-methylprop-2-enamide
SMILESCN(C)C=C(C#N)C(=O)N(C)c1ccc(F)cc1F
InChIInChI=1S/C13H13F2N3O/c1-17(2)8-9(7-16)13(19)18(3)12-5-4-10(14)6-11(12)15/h4-6,8H,1-3H3
InChIKeyZKLKRGMYRUXSKB-UHFFFAOYSA-N
XLogP1.90
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
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

2-cyano-N-(2,4-difluorophenyl)-N,3-dimethylbutanamide
CID 115188569
methyl 2-(2,4-difluoro-N-methylanilino)-2-oxoacetate
CID 115142279
2-[3-[(E)-2-cyano-3-(2,4-difluoro-N-methylanilino)-3-oxoprop-1-enyl]indol-1-yl]acetic acid
CID 67274412
methyl N-(2,4-difluorophenyl)-N-methylcarbamate
CID 67276002
(Z)-2-(2,6-difluorobenzoyl)-3-(dimethylamino)prop-2-enenitrile
CID 67791369
4-amino-N-(2,4-difluorophenyl)-N-methylcyclohexane-1-carboxamide
CID 115150554
2-cyano-3-(dimethylamino)-N-(2-fluoro-4-hydroxyphenyl)prop-2-enamide
CID 3329094
3-amino-N-(2,4-difluorophenyl)-N,2-dimethylpropanamide
CID 115153564
2-(2,6-dichloro-5-fluoropyridine-3-carbonyl)-3-(dimethylamino)prop-2-enenitrile
CID 173362943
5-amino-N-(2,4-difluorophenyl)-N,2-dimethylthiophene-3-carboxamide
CID 139533695
1-(aminomethyl)-N-(2,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 115182616
2-(2,4-difluoro-N-methylanilino)propanenitrile
CID 115130007

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,4-difluorophenyl)-3-(dimethylamino)-N-methylprop-2-enamide?
The IUPAC name of 2-cyano-N-(2,4-difluorophenyl)-3-(dimethylamino)-N-methylprop-2-enamide (CID 3611810) is 2-cyano-N-(2,4-difluorophenyl)-3-(dimethylamino)-N-methylprop-2-enamide.
What is the SMILES notation for 2-cyano-N-(2,4-difluorophenyl)-3-(dimethylamino)-N-methylprop-2-enamide?
The canonical SMILES for 2-cyano-N-(2,4-difluorophenyl)-3-(dimethylamino)-N-methylprop-2-enamide is CN(C)C=C(C#N)C(=O)N(C)c1ccc(F)cc1F.
What is the InChIKey of 2-cyano-N-(2,4-difluorophenyl)-3-(dimethylamino)-N-methylprop-2-enamide?
The InChIKey is ZKLKRGMYRUXSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-17(2)8-9(7-16)13(19)18(3)12-5-4-10(14)6-11(12)15/h4-6,8H,1-3H3.
What are the key properties of 2-cyano-N-(2,4-difluorophenyl)-3-(dimethylamino)-N-methylprop-2-enamide?
2-cyano-N-(2,4-difluorophenyl)-3-(dimethylamino)-N-methylprop-2-enamide has a molecular weight of 265.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,4-difluorophenyl)-3-(dimethylamino)-N-methylprop-2-enamide is sourced from PubChem (CID 3611810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).