2-[[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide

C13H19FN2O — CID 94197027

IUPAC2-[[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide
SMILESCC(C)(C)[C@@H](NCC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-13(2,3)12(16-8-11(15)17)9-4-6-10(14)7-5-9/h4-7,12,16H,8H2,1-3H3,(H2,15,17)/t12-/m0/s1
InChIKeyODSPFVBUOCZJIE-LBPRGKRZSA-N
MW238.31 g/mol
LogP1.99
Rot. Bonds4

About 2-[[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide

2-[[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide (PubChem CID 94197027) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide
PubChem CID94197027
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-[[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide
SMILESCC(C)(C)[C@@H](NCC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-13(2,3)12(16-8-11(15)17)9-4-6-10(14)7-5-9/h4-7,12,16H,8H2,1-3H3,(H2,15,17)/t12-/m0/s1
InChIKeyODSPFVBUOCZJIE-LBPRGKRZSA-N
XLogP1.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-oxobutanamide
CID 61249393
5-[[[(1S)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]thiophene-3-carboxamide
CID 125134343
(2S)-2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]butanamide
CID 79024176
3-(4-fluorophenyl)-4,4-dimethylpentanamide
CID 82080473
N-(1-cyano-1-cyclopropylethyl)-2-[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide
CID 47070117
2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenol
CID 43735061
2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide
CID 60847374
[4-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenyl]methanol
CID 110009379
5-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide
CID 104684157
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(methylamino)propanamide
CID 62637670
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]octan-1-amine
CID 43735025
2-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]propane-1,2-diamine
CID 103388771

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide?
The IUPAC name of 2-[[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide (CID 94197027) is 2-[[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide.
What is the SMILES notation for 2-[[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide?
The canonical SMILES for 2-[[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide is CC(C)(C)[C@@H](NCC(N)=O)c1ccc(F)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide?
The InChIKey is ODSPFVBUOCZJIE-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-13(2,3)12(16-8-11(15)17)9-4-6-10(14)7-5-9/h4-7,12,16H,8H2,1-3H3,(H2,15,17)/t12-/m0/s1.
What are the key properties of 2-[[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide?
2-[[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide has a molecular weight of 238.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide is sourced from PubChem (CID 94197027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).