(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide

C15H22FN3O2 — CID 97194521

IUPAC(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
SMILESCC(C)NC(=O)CNC(=O)[C@@H](c1cccc(F)c1)N(C)C
InChIInChI=1S/C15H22FN3O2/c1-10(2)18-13(20)9-17-15(21)14(19(3)4)11-6-5-7-12(16)8-11/h5-8,10,14H,9H2,1-4H3,(H,17,21)(H,18,20)/t14-/m1/s1
InChIKeyDMZJTINKYHYMIS-CQSZACIVSA-N
MW295.36 g/mol
LogP1.07
Rot. Bonds6

About (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide

(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide (PubChem CID 97194521) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
PubChem CID97194521
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
SMILESCC(C)NC(=O)CNC(=O)[C@@H](c1cccc(F)c1)N(C)C
InChIInChI=1S/C15H22FN3O2/c1-10(2)18-13(20)9-17-15(21)14(19(3)4)11-6-5-7-12(16)8-11/h5-8,10,14H,9H2,1-4H3,(H,17,21)(H,18,20)/t14-/m1/s1
InChIKeyDMZJTINKYHYMIS-CQSZACIVSA-N
XLogP1.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]-N,N-dimethylbutanamide
CID 72849600
2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
CID 72890893
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(2,3,4,5-tetrafluorophenyl)methyl]acetamide
CID 97187528
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
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 97199090
1-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxamide
CID 97205791
2-(dimethylamino)-2-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 72875005
(2R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 95119707
(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 97204908
(2R)-2-(dimethylamino)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(3-fluorophenyl)acetamide
CID 97201809
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide
CID 136916523

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
The IUPAC name of (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide (CID 97194521) is (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide.
What is the SMILES notation for (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
The canonical SMILES for (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide is CC(C)NC(=O)CNC(=O)[C@@H](c1cccc(F)c1)N(C)C.
What is the InChIKey of (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
The InChIKey is DMZJTINKYHYMIS-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-10(2)18-13(20)9-17-15(21)14(19(3)4)11-6-5-7-12(16)8-11/h5-8,10,14H,9H2,1-4H3,(H,17,21)(H,18,20)/t14-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide has a molecular weight of 295.36 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 97194521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).