N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(N-ethyl-4-fluoroanilino)acetamide

C21H24FN3O2 — CID 55446331

IUPACN-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(N-ethyl-4-fluoroanilino)acetamide
SMILESCCOc1ccc(N(CCC#N)C(=O)CN(CC)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H24FN3O2/c1-3-24(18-8-6-17(22)7-9-18)16-21(26)25(15-5-14-23)19-10-12-20(13-11-19)27-4-2/h6-13H,3-5,15-16H2,1-2H3
InChIKeyMDLGYVGZERFNSI-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.00
Rot. Bonds9

About N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(N-ethyl-4-fluoroanilino)acetamide

N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(N-ethyl-4-fluoroanilino)acetamide (PubChem CID 55446331) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(N-ethyl-4-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(N-ethyl-4-fluoroanilino)acetamide
PubChem CID55446331
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC NameN-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(N-ethyl-4-fluoroanilino)acetamide
SMILESCCOc1ccc(N(CCC#N)C(=O)CN(CC)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H24FN3O2/c1-3-24(18-8-6-17(22)7-9-18)16-21(26)25(15-5-14-23)19-10-12-20(13-11-19)27-4-2/h6-13H,3-5,15-16H2,1-2H3
InChIKeyMDLGYVGZERFNSI-UHFFFAOYSA-N
XLogP4.00
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methoxy]benzamide
CID 56572846
[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 16535913
N-(2-cyanoethyl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 2344487
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 56572748
N-(2-cyanoethyl)-2-[cyclopentyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)acetamide
CID 56569940
N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 24534552
N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-phenylacetamide
CID 46805536
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-(4-propan-2-ylphenoxy)propanamide
CID 56572588
[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 16503076
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55377904
[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 16524094
2-[[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl]-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 38508585

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(N-ethyl-4-fluoroanilino)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(N-ethyl-4-fluoroanilino)acetamide (CID 55446331) is N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(N-ethyl-4-fluoroanilino)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(N-ethyl-4-fluoroanilino)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(N-ethyl-4-fluoroanilino)acetamide is CCOc1ccc(N(CCC#N)C(=O)CN(CC)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(N-ethyl-4-fluoroanilino)acetamide?
The InChIKey is MDLGYVGZERFNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-3-24(18-8-6-17(22)7-9-18)16-21(26)25(15-5-14-23)19-10-12-20(13-11-19)27-4-2/h6-13H,3-5,15-16H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(N-ethyl-4-fluoroanilino)acetamide?
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(N-ethyl-4-fluoroanilino)acetamide has a molecular weight of 369.44 g/mol, XLogP of 4.00, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(N-ethyl-4-fluoroanilino)acetamide is sourced from PubChem (CID 55446331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).