2-(2-cyano-3-fluoro-N-methylanilino)-N,N-diethylacetamide

C14H18FN3O — CID 78910916

IUPAC2-(2-cyano-3-fluoro-N-methylanilino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1cccc(F)c1C#N
InChIInChI=1S/C14H18FN3O/c1-4-18(5-2)14(19)10-17(3)13-8-6-7-12(15)11(13)9-16/h6-8H,4-5,10H2,1-3H3
InChIKeyCJCRKMAQZDHXEX-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.00
Rot. Bonds5

About 2-(2-cyano-3-fluoro-N-methylanilino)-N,N-diethylacetamide

2-(2-cyano-3-fluoro-N-methylanilino)-N,N-diethylacetamide (PubChem CID 78910916) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(2-cyano-3-fluoro-N-methylanilino)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(2-cyano-3-fluoro-N-methylanilino)-N,N-diethylacetamide
PubChem CID78910916
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-(2-cyano-3-fluoro-N-methylanilino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1cccc(F)c1C#N
InChIInChI=1S/C14H18FN3O/c1-4-18(5-2)14(19)10-17(3)13-8-6-7-12(15)11(13)9-16/h6-8H,4-5,10H2,1-3H3
InChIKeyCJCRKMAQZDHXEX-UHFFFAOYSA-N
XLogP2.00
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-cyano-3-fluoro-N-methylanilino)-N,N-diethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-2-cyano-N-methylanilino)-N,N-diethylacetamide
CID 60678246
2-(2-cyano-3-fluoro-N-methylanilino)acetic acid
CID 79015712
N,N-diethyl-2-[methyl(naphthalen-1-yl)amino]acetamide
CID 60570383
2-[N-(carboxymethyl)-2-cyano-3-fluoroanilino]acetic acid
CID 79513207
ethyl 2-(2-cyano-N-cyclopropyl-3-fluoroanilino)acetate
CID 62005740
2-fluoro-6-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile
CID 115765243
2-fluoro-6-[(4-fluorophenyl)methyl-methylamino]benzonitrile
CID 78911019
N-(2-cyano-3-fluorophenyl)-N-methylprop-2-enamide
CID 156784802
2-[butan-2-yl(ethyl)amino]-6-fluorobenzonitrile
CID 79512921
2-[cyclohexylmethyl(methyl)amino]-6-fluorobenzonitrile
CID 112822772
2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorobenzonitrile
CID 103188867
2-[cyclopentyl(ethyl)amino]-6-fluorobenzonitrile
CID 78958816

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-3-fluoro-N-methylanilino)-N,N-diethylacetamide?
The IUPAC name of 2-(2-cyano-3-fluoro-N-methylanilino)-N,N-diethylacetamide (CID 78910916) is 2-(2-cyano-3-fluoro-N-methylanilino)-N,N-diethylacetamide.
What is the SMILES notation for 2-(2-cyano-3-fluoro-N-methylanilino)-N,N-diethylacetamide?
The canonical SMILES for 2-(2-cyano-3-fluoro-N-methylanilino)-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)c1cccc(F)c1C#N.
What is the InChIKey of 2-(2-cyano-3-fluoro-N-methylanilino)-N,N-diethylacetamide?
The InChIKey is CJCRKMAQZDHXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-4-18(5-2)14(19)10-17(3)13-8-6-7-12(15)11(13)9-16/h6-8H,4-5,10H2,1-3H3.
What are the key properties of 2-(2-cyano-3-fluoro-N-methylanilino)-N,N-diethylacetamide?
2-(2-cyano-3-fluoro-N-methylanilino)-N,N-diethylacetamide has a molecular weight of 263.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-3-fluoro-N-methylanilino)-N,N-diethylacetamide is sourced from PubChem (CID 78910916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).