2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(3-fluorophenyl)acetamide

C20H26FN3O — CID 72890893

IUPAC2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
SMILESCN(C)c1ccc(CCNC(=O)C(c2cccc(F)c2)N(C)C)cc1
InChIInChI=1S/C20H26FN3O/c1-23(2)18-10-8-15(9-11-18)12-13-22-20(25)19(24(3)4)16-6-5-7-17(21)14-16/h5-11,14,19H,12-13H2,1-4H3,(H,22,25)
InChIKeyWLNXPYOBYOKCGS-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.85
Rot. Bonds7

About 2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(3-fluorophenyl)acetamide

2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 72890893) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
PubChem CID72890893
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
SMILESCN(C)c1ccc(CCNC(=O)C(c2cccc(F)c2)N(C)C)cc1
InChIInChI=1S/C20H26FN3O/c1-23(2)18-10-8-15(9-11-18)12-13-22-20(25)19(24(3)4)16-6-5-7-17(21)14-16/h5-11,14,19H,12-13H2,1-4H3,(H,22,25)
InChIKeyWLNXPYOBYOKCGS-UHFFFAOYSA-N
XLogP2.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide
CID 97139155
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide
CID 16889405
4-[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]-N,N-dimethylbutanamide
CID 72849600
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 97194521
N-[3-[4-(dimethylamino)phenyl]propyl]-3-(3-fluorophenyl)butanamide
CID 86961979
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide
CID 136916523
(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
(2R)-2-(dimethylamino)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(3-fluorophenyl)acetamide
CID 97201809
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 97200430
N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 7639205
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 97199895

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(3-fluorophenyl)acetamide (CID 72890893) is 2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(3-fluorophenyl)acetamide is CN(C)c1ccc(CCNC(=O)C(c2cccc(F)c2)N(C)C)cc1.
What is the InChIKey of 2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is WLNXPYOBYOKCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-23(2)18-10-8-15(9-11-18)12-13-22-20(25)19(24(3)4)16-6-5-7-17(21)14-16/h5-11,14,19H,12-13H2,1-4H3,(H,22,25).
What are the key properties of 2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(3-fluorophenyl)acetamide?
2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 343.45 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 72890893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).