N-(2-cyanopropyl)-2-(3,4-difluoro-N-methylanilino)-N-ethylacetamide

C15H19F2N3O — CID 86831680

IUPACN-(2-cyanopropyl)-2-(3,4-difluoro-N-methylanilino)-N-ethylacetamide
SMILESCCN(CC(C)C#N)C(=O)CN(C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H19F2N3O/c1-4-20(9-11(2)8-18)15(21)10-19(3)12-5-6-13(16)14(17)7-12/h5-7,11H,4,9-10H2,1-3H3
InChIKeyLQDPCFDFNPIXFX-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.41
Rot. Bonds6

About N-(2-cyanopropyl)-2-(3,4-difluoro-N-methylanilino)-N-ethylacetamide

N-(2-cyanopropyl)-2-(3,4-difluoro-N-methylanilino)-N-ethylacetamide (PubChem CID 86831680) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is N-(2-cyanopropyl)-2-(3,4-difluoro-N-methylanilino)-N-ethylacetamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-2-(3,4-difluoro-N-methylanilino)-N-ethylacetamide
PubChem CID86831680
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC NameN-(2-cyanopropyl)-2-(3,4-difluoro-N-methylanilino)-N-ethylacetamide
SMILESCCN(CC(C)C#N)C(=O)CN(C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H19F2N3O/c1-4-20(9-11(2)8-18)15(21)10-19(3)12-5-6-13(16)14(17)7-12/h5-7,11H,4,9-10H2,1-3H3
InChIKeyLQDPCFDFNPIXFX-UHFFFAOYSA-N
XLogP2.41
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-(N-ethyl-3,4-difluoroanilino)acetamide
CID 78903043
N-(2-cyanopropyl)-N-ethyl-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 87014013
N-[(2R)-2-cyanopropyl]-N-ethyl-3-(4-fluorophenyl)propanamide
CID 94822045
N-(2-cyanopropyl)-N-ethyl-4-fluoro-3-nitrobenzamide
CID 61051908
2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide
CID 87013152
2-(4-chlorophenyl)sulfonyl-N-(2-cyanopropyl)-N-ethylacetamide
CID 60516291
2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-diethylacetamide
CID 60581890
3-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 54979092
N-(2-cyanopropyl)-N-ethyl-3,4-dihydroxybenzamide
CID 113358258
2-[2-cyanopropyl(ethyl)amino]-N,N-diethylacetamide
CID 60585362
4-chloro-N-(2-cyanopropyl)-N-ethyl-2-hydroxybenzamide
CID 54988577
4-amino-N-(2-cyanopropyl)-N-ethylbutanamide
CID 60962664

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-2-(3,4-difluoro-N-methylanilino)-N-ethylacetamide?
The IUPAC name of N-(2-cyanopropyl)-2-(3,4-difluoro-N-methylanilino)-N-ethylacetamide (CID 86831680) is N-(2-cyanopropyl)-2-(3,4-difluoro-N-methylanilino)-N-ethylacetamide.
What is the SMILES notation for N-(2-cyanopropyl)-2-(3,4-difluoro-N-methylanilino)-N-ethylacetamide?
The canonical SMILES for N-(2-cyanopropyl)-2-(3,4-difluoro-N-methylanilino)-N-ethylacetamide is CCN(CC(C)C#N)C(=O)CN(C)c1ccc(F)c(F)c1.
What is the InChIKey of N-(2-cyanopropyl)-2-(3,4-difluoro-N-methylanilino)-N-ethylacetamide?
The InChIKey is LQDPCFDFNPIXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-4-20(9-11(2)8-18)15(21)10-19(3)12-5-6-13(16)14(17)7-12/h5-7,11H,4,9-10H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-2-(3,4-difluoro-N-methylanilino)-N-ethylacetamide?
N-(2-cyanopropyl)-2-(3,4-difluoro-N-methylanilino)-N-ethylacetamide has a molecular weight of 295.33 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-2-(3,4-difluoro-N-methylanilino)-N-ethylacetamide is sourced from PubChem (CID 86831680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).