N-(4-fluorophenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide

C13H16F4N2O2 — CID 111109944

IUPACN-(4-fluorophenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
SMILESO=C(CN(CCCO)CC(F)(F)F)Nc1ccc(F)cc1
InChIInChI=1S/C13H16F4N2O2/c14-10-2-4-11(5-3-10)18-12(21)8-19(6-1-7-20)9-13(15,16)17/h2-5,20H,1,6-9H2,(H,18,21)
InChIKeyDUQPMHRZHJJFEP-UHFFFAOYSA-N
MW308.27 g/mol
LogP2.01
Rot. Bonds7

About N-(4-fluorophenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide

N-(4-fluorophenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide (PubChem CID 111109944) has the molecular formula C13H16F4N2O2 and a molecular weight of 308.27 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
PubChem CID111109944
Molecular FormulaC13H16F4N2O2
Molecular Weight308.27 g/mol
Exact Mass308.11
IUPAC NameN-(4-fluorophenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
SMILESO=C(CN(CCCO)CC(F)(F)F)Nc1ccc(F)cc1
InChIInChI=1S/C13H16F4N2O2/c14-10-2-4-11(5-3-10)18-12(21)8-19(6-1-7-20)9-13(15,16)17/h2-5,20H,1,6-9H2,(H,18,21)
InChIKeyDUQPMHRZHJJFEP-UHFFFAOYSA-N
XLogP2.01
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
CID 111109987
N-(5-chloro-2-pyridinyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
CID 111022260
3-[[2-(4-fluoroanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid
CID 82326609
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(4-fluorophenyl)acetamide
CID 102848391
2-[bis(3-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide
CID 18870810
N-(4-fluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide
CID 111436369
2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 111022254
2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]-N-(3-methoxyphenyl)acetamide
CID 111107285
N-(4-fluorophenyl)-3-hydroxypropanamide
CID 12748696
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-pyrimidin-2-ylacetamide
CID 107485826
2-[[2-(3-fluoroanilino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79262697
N-(4-fluorophenyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106617853

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide (CID 111109944) is N-(4-fluorophenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide is O=C(CN(CCCO)CC(F)(F)F)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide?
The InChIKey is DUQPMHRZHJJFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O2/c14-10-2-4-11(5-3-10)18-12(21)8-19(6-1-7-20)9-13(15,16)17/h2-5,20H,1,6-9H2,(H,18,21).
What are the key properties of N-(4-fluorophenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide?
N-(4-fluorophenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide has a molecular weight of 308.27 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide is sourced from PubChem (CID 111109944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).