2-(2-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide

C14H16F2N2O3 — CID 107483315

IUPAC2-(2-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)N(CCO)CC(F)F
InChIInChI=1S/C14H16F2N2O3/c1-10(14(20)18(6-7-19)9-13(15)16)21-12-5-3-2-4-11(12)8-17/h2-5,10,13,19H,6-7,9H2,1H3
InChIKeyVMJDWQKVJIVKRR-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.41
Rot. Bonds7

About 2-(2-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide

2-(2-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide (PubChem CID 107483315) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide
PubChem CID107483315
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Name2-(2-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)N(CCO)CC(F)F
InChIInChI=1S/C14H16F2N2O3/c1-10(14(20)18(6-7-19)9-13(15)16)21-12-5-3-2-4-11(12)8-17/h2-5,10,13,19H,6-7,9H2,1H3
InChIKeyVMJDWQKVJIVKRR-UHFFFAOYSA-N
XLogP1.41
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43576582
2-[2-(2-cyanophenoxy)propanoyl-(2-phenylethyl)amino]acetic acid
CID 120540489
2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843130
methyl 2-[2-(2-cyanophenoxy)propanoyl-methylamino]acetate
CID 43423964
methyl 2-[2-(2-cyanophenoxy)propanoyl-propan-2-ylamino]acetate
CID 78884771
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
(2S)-N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 95042307
2-(2-cyanophenoxy)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 46546464
(2S)-2-(3-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)propanamide
CID 96999216
2-[2-(2-cyanophenoxy)propanoyl-(oxan-4-yl)amino]acetic acid
CID 119211409
N-(2-amino-2-oxoethoxy)-2-(2-cyanophenoxy)propanamide
CID 112550843
2-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 7560443

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide (CID 107483315) is 2-(2-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide is CC(Oc1ccccc1C#N)C(=O)N(CCO)CC(F)F.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide?
The InChIKey is VMJDWQKVJIVKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c1-10(14(20)18(6-7-19)9-13(15)16)21-12-5-3-2-4-11(12)8-17/h2-5,10,13,19H,6-7,9H2,1H3.
What are the key properties of 2-(2-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide?
2-(2-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide has a molecular weight of 298.29 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 107483315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).