N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-phenylacetamide

C14H17F2N3O2 — CID 107485643

IUPACN-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-phenylacetamide
SMILESN#CCN(C(=O)CN(CCO)CC(F)F)c1ccccc1
InChIInChI=1S/C14H17F2N3O2/c15-13(16)10-18(8-9-20)11-14(21)19(7-6-17)12-4-2-1-3-5-12/h1-5,13,20H,7-11H2
InChIKeyZBHLPEYORZHAQK-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.10
Rot. Bonds8

About N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-phenylacetamide

N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-phenylacetamide (PubChem CID 107485643) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-phenylacetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-phenylacetamide
PubChem CID107485643
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC NameN-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-phenylacetamide
SMILESN#CCN(C(=O)CN(CCO)CC(F)F)c1ccccc1
InChIInChI=1S/C14H17F2N3O2/c15-13(16)10-18(8-9-20)11-14(21)19(7-6-17)12-4-2-1-3-5-12/h1-5,13,20H,7-11H2
InChIKeyZBHLPEYORZHAQK-UHFFFAOYSA-N
XLogP1.10
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

Phenylacetylglycine Dimethylamide
CID 19536
N-(4-Fluorophenyl)-2-hydroxy-N-(1-methylethyl) acetamide
CID 6452934
N-(3,4-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 719526
Acetanilide, N-(1-(dimethylcarbamoyl)ethyl)-
CID 56319
GB-109
CID 571834
1-(Difluoroacetyl)-4-phenylpiperazine
CID 750412
2,2,2-Trifluoro-1-(4-phenylpiperazin-1-yl)ethanone
CID 839837
Acetanilide, 2-dimethylamino-N-(dimethylcarbamoylmethyl)-
CID 56414
Acetamide, N,N-diethyl-2-(N-methylanilino)-
CID 56537
Carbanilic acid, N-(dimethylcarbamoylmethyl)-, ethyl ester
CID 58242
Propionanilide, N-((diethylcarbamoyl)methyl)-
CID 3022018
2-[4-(2-hydroxyethyl)-1-piperazinyl]-N-phenylacetamide
CID 9549102

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-phenylacetamide?
The IUPAC name of N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-phenylacetamide (CID 107485643) is N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-phenylacetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-phenylacetamide?
The canonical SMILES for N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-phenylacetamide is N#CCN(C(=O)CN(CCO)CC(F)F)c1ccccc1.
What is the InChIKey of N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-phenylacetamide?
The InChIKey is ZBHLPEYORZHAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c15-13(16)10-18(8-9-20)11-14(21)19(7-6-17)12-4-2-1-3-5-12/h1-5,13,20H,7-11H2.
What are the key properties of N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-phenylacetamide?
N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-phenylacetamide has a molecular weight of 297.31 g/mol, XLogP of 1.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-phenylacetamide is sourced from PubChem (CID 107485643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).