2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide

C14H19F3N2O2 — CID 107485291

IUPAC2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN(CCO)CC(F)F)c1ccc(F)cc1
InChIInChI=1S/C14H19F3N2O2/c1-10(11-2-4-12(15)5-3-11)18-14(21)9-19(6-7-20)8-13(16)17/h2-5,10,13,20H,6-9H2,1H3,(H,18,21)
InChIKeyITHILDXVJNUKJM-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.56
Rot. Bonds8

About 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 107485291) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide
PubChem CID107485291
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN(CCO)CC(F)F)c1ccc(F)cc1
InChIInChI=1S/C14H19F3N2O2/c1-10(11-2-4-12(15)5-3-11)18-14(21)9-19(6-7-20)8-13(16)17/h2-5,10,13,20H,6-9H2,1H3,(H,18,21)
InChIKeyITHILDXVJNUKJM-UHFFFAOYSA-N
XLogP1.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 107485550
methyl (2R)-3-[ethyl-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate
CID 98753918
2-[bis(2-hydroxyethyl)amino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 110881147
2-[2-aminoethyl(methyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 62687201
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 81349027
2-[3-(4-fluorophenoxy)propyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 46444841
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 9410067
N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107485154
N-[1-(4-bromophenyl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683956
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43900377

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide (CID 107485291) is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide is CC(NC(=O)CN(CCO)CC(F)F)c1ccc(F)cc1.
What is the InChIKey of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is ITHILDXVJNUKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-10(11-2-4-12(15)5-3-11)18-14(21)9-19(6-7-20)8-13(16)17/h2-5,10,13,20H,6-9H2,1H3,(H,18,21).
What are the key properties of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide?
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 304.31 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 107485291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).