N-[(2R)-2-cyanopropyl]-N-ethyl-3-(4-fluorophenyl)propanamide

C15H19FN2O — CID 94822045

IUPACN-[(2R)-2-cyanopropyl]-N-ethyl-3-(4-fluorophenyl)propanamide
SMILESCCN(C[C@@H](C)C#N)C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C15H19FN2O/c1-3-18(11-12(2)10-17)15(19)9-6-13-4-7-14(16)8-5-13/h4-5,7-8,12H,3,6,9,11H2,1-2H3/t12-/m0/s1
InChIKeyHJSYNJYDFVSARK-LBPRGKRZSA-N
MW262.33 g/mol
LogP2.77
Rot. Bonds6

About N-[(2R)-2-cyanopropyl]-N-ethyl-3-(4-fluorophenyl)propanamide

N-[(2R)-2-cyanopropyl]-N-ethyl-3-(4-fluorophenyl)propanamide (PubChem CID 94822045) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[(2R)-2-cyanopropyl]-N-ethyl-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[(2R)-2-cyanopropyl]-N-ethyl-3-(4-fluorophenyl)propanamide
PubChem CID94822045
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC NameN-[(2R)-2-cyanopropyl]-N-ethyl-3-(4-fluorophenyl)propanamide
SMILESCCN(C[C@@H](C)C#N)C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C15H19FN2O/c1-3-18(11-12(2)10-17)15(19)9-6-13-4-7-14(16)8-5-13/h4-5,7-8,12H,3,6,9,11H2,1-2H3/t12-/m0/s1
InChIKeyHJSYNJYDFVSARK-LBPRGKRZSA-N
XLogP2.77
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 78858762
3-(4-aminophenyl)-N-(2-cyanopropyl)-N-methylpropanamide
CID 61114933
N-(2-cyanopropyl)-N-ethyl-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 87014013
N-(2-cyanopropyl)-N-ethyl-4-thiophen-2-ylbutanamide
CID 54979623
N,N-dibutyl-3-(4-fluorophenyl)propanamide
CID 46906422
4-amino-N-(2-cyanopropyl)-N-ethylbutanamide
CID 60962664
4-cyano-N,N-diethyl-4-(4-fluorophenyl)butanamide
CID 112516955
7-amino-N-(2-cyanopropyl)-N-ethylheptanamide
CID 54873246
3-(4-fluorophenyl)-N,N-bis(2-hydroxyethyl)propanamide
CID 60682225
N-(2-cyanopropyl)-2-(3,4-difluoro-N-methylanilino)-N-ethylacetamide
CID 86831680
2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide
CID 87013152
N-ethyl-N-(2-methylpropyl)-3-(4-sulfamoylphenyl)propanamide
CID 38591628

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyanopropyl]-N-ethyl-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-[(2R)-2-cyanopropyl]-N-ethyl-3-(4-fluorophenyl)propanamide (CID 94822045) is N-[(2R)-2-cyanopropyl]-N-ethyl-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[(2R)-2-cyanopropyl]-N-ethyl-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[(2R)-2-cyanopropyl]-N-ethyl-3-(4-fluorophenyl)propanamide is CCN(C[C@@H](C)C#N)C(=O)CCc1ccc(F)cc1.
What is the InChIKey of N-[(2R)-2-cyanopropyl]-N-ethyl-3-(4-fluorophenyl)propanamide?
The InChIKey is HJSYNJYDFVSARK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-3-18(11-12(2)10-17)15(19)9-6-13-4-7-14(16)8-5-13/h4-5,7-8,12H,3,6,9,11H2,1-2H3/t12-/m0/s1.
What are the key properties of N-[(2R)-2-cyanopropyl]-N-ethyl-3-(4-fluorophenyl)propanamide?
N-[(2R)-2-cyanopropyl]-N-ethyl-3-(4-fluorophenyl)propanamide has a molecular weight of 262.33 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyanopropyl]-N-ethyl-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 94822045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).