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

C8H13F2N3O2 — CID 107485154

IUPACN-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
SMILESN#CCNC(=O)CN(CCO)CC(F)F
InChIInChI=1S/C8H13F2N3O2/c9-7(10)5-13(3-4-14)6-8(15)12-2-1-11/h7,14H,2-6H2,(H,12,15)
InChIKeySFKWQFHQSQKLGI-UHFFFAOYSA-N
MW221.21 g/mol
LogP-0.81
Rot. Bonds7

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

N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide (PubChem CID 107485154) has the molecular formula C8H13F2N3O2 and a molecular weight of 221.21 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
PubChem CID107485154
Molecular FormulaC8H13F2N3O2
Molecular Weight221.21 g/mol
Exact Mass221.10
IUPAC NameN-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
SMILESN#CCNC(=O)CN(CCO)CC(F)F
InChIInChI=1S/C8H13F2N3O2/c9-7(10)5-13(3-4-14)6-8(15)12-2-1-11/h7,14H,2-6H2,(H,12,15)
InChIKeySFKWQFHQSQKLGI-UHFFFAOYSA-N
XLogP-0.81
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107485234
N-(1-cyano-1-cyclopropylethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107485470
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 107485291
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 107485723
2-[2,2-difluoroethyl(2-methylprop-2-enyl)amino]ethanol
CID 107485262
2-[bis(2-hydroxyethyl)amino]-N-(3-methylbutyl)acetamide
CID 60686353
N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-phenylacetamide
CID 107485643
2-[ethyl(2-hydroxyethyl)amino]-N-prop-2-ynylacetamide
CID 60686063
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 107485550
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 107485183
2-[[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]amino]thiophene-3-carboxamide
CID 107485683
butyl 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetate
CID 107480814

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The IUPAC name of N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide (CID 107485154) is N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide is N#CCNC(=O)CN(CCO)CC(F)F.
What is the InChIKey of N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The InChIKey is SFKWQFHQSQKLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O2/c9-7(10)5-13(3-4-14)6-8(15)12-2-1-11/h7,14H,2-6H2,(H,12,15).
What are the key properties of N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide has a molecular weight of 221.21 g/mol, XLogP of -0.81, 7 rotatable bonds, 2 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]acetamide is sourced from PubChem (CID 107485154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).