(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide

C16H19FN4O2 — CID 136916523

IUPAC(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide
SMILESCN(C)[C@@H](C(=O)NCCc1cc(=O)[nH]cn1)c1cccc(F)c1
InChIInChI=1S/C16H19FN4O2/c1-21(2)15(11-4-3-5-12(17)8-11)16(23)18-7-6-13-9-14(22)20-10-19-13/h3-5,8-10,15H,6-7H2,1-2H3,(H,18,23)(H,19,20,22)/t15-/m1/s1
InChIKeyGWUCGOOGJSUCNQ-OAHLLOKOSA-N
MW318.35 g/mol
LogP0.87
Rot. Bonds6

About (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide

(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide (PubChem CID 136916523) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide
PubChem CID136916523
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide
SMILESCN(C)[C@@H](C(=O)NCCc1cc(=O)[nH]cn1)c1cccc(F)c1
InChIInChI=1S/C16H19FN4O2/c1-21(2)15(11-4-3-5-12(17)8-11)16(23)18-7-6-13-9-14(22)20-10-19-13/h3-5,8-10,15H,6-7H2,1-2H3,(H,18,23)(H,19,20,22)/t15-/m1/s1
InChIKeyGWUCGOOGJSUCNQ-OAHLLOKOSA-N
XLogP0.87
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
CID 72890893
4-[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]-N,N-dimethylbutanamide
CID 72849600
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide
CID 97196249
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 97194521
(2R)-2-(dimethylamino)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(3-fluorophenyl)acetamide
CID 97201809
2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 72874920
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(2,3,4,5-tetrafluorophenyl)methyl]acetamide
CID 97187528
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 97199090
N-cyclobutyl-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 72896838
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 97200430
2-(dimethylamino)-2-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 72875005
N-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide
CID 97150151

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide?
The IUPAC name of (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide (CID 136916523) is (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide.
What is the SMILES notation for (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide?
The canonical SMILES for (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide is CN(C)[C@@H](C(=O)NCCc1cc(=O)[nH]cn1)c1cccc(F)c1.
What is the InChIKey of (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide?
The InChIKey is GWUCGOOGJSUCNQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-21(2)15(11-4-3-5-12(17)8-11)16(23)18-7-6-13-9-14(22)20-10-19-13/h3-5,8-10,15H,6-7H2,1-2H3,(H,18,23)(H,19,20,22)/t15-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide?
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide has a molecular weight of 318.35 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide is sourced from PubChem (CID 136916523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).