N-(4-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide

C14H17F2N3O2 — CID 107479691

IUPACN-(4-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide
SMILESCC(C(=O)Nc1ccc(C#N)cc1)N(CCO)CC(F)F
InChIInChI=1S/C14H17F2N3O2/c1-10(19(6-7-20)9-13(15)16)14(21)18-12-4-2-11(8-17)3-5-12/h2-5,10,13,20H,6-7,9H2,1H3,(H,18,21)
InChIKeyVXPAEVSGUAWWDD-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.44
Rot. Bonds7

About N-(4-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide

N-(4-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide (PubChem CID 107479691) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide
PubChem CID107479691
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC NameN-(4-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide
SMILESCC(C(=O)Nc1ccc(C#N)cc1)N(CCO)CC(F)F
InChIInChI=1S/C14H17F2N3O2/c1-10(19(6-7-20)9-13(15)16)14(21)18-12-4-2-11(8-17)3-5-12/h2-5,10,13,20H,6-7,9H2,1H3,(H,18,21)
InChIKeyVXPAEVSGUAWWDD-UHFFFAOYSA-N
XLogP1.44
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide
CID 107479644
N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43215756
N-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43263401
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-phenylpropanamide
CID 107494405
N-(4-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide
CID 43269553
N-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
CID 61242810
N-(4-cyanophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propanamide
CID 63981461
N-(4-cyanophenyl)-2-sulfanylpropanamide
CID 107021186
N-(4-cyanophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60691467
2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 17405256
N-(4-cyanophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 17437572
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 4-methylpentanoate
CID 7848231

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide?
The IUPAC name of N-(4-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide (CID 107479691) is N-(4-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide is CC(C(=O)Nc1ccc(C#N)cc1)N(CCO)CC(F)F.
What is the InChIKey of N-(4-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide?
The InChIKey is VXPAEVSGUAWWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-10(19(6-7-20)9-13(15)16)14(21)18-12-4-2-11(8-17)3-5-12/h2-5,10,13,20H,6-7,9H2,1H3,(H,18,21).
What are the key properties of N-(4-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide?
N-(4-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide has a molecular weight of 297.31 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide is sourced from PubChem (CID 107479691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).