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

C20H26FN3O — CID 7495843

IUPACN-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(4-fluorophenyl)acetamide
SMILESCN(C)c1ccc([C@H](CNC(=O)Cc2ccc(F)cc2)N(C)C)cc1
InChIInChI=1S/C20H26FN3O/c1-23(2)18-11-7-16(8-12-18)19(24(3)4)14-22-20(25)13-15-5-9-17(21)10-6-15/h5-12,19H,13-14H2,1-4H3,(H,22,25)/t19-/m0/s1
InChIKeyMBCDZVTYTIPFGI-IBGZPJMESA-N
MW343.45 g/mol
LogP2.85
Rot. Bonds7

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

N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 7495843) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(4-fluorophenyl)acetamide
PubChem CID7495843
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC NameN-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(4-fluorophenyl)acetamide
SMILESCN(C)c1ccc([C@H](CNC(=O)Cc2ccc(F)cc2)N(C)C)cc1
InChIInChI=1S/C20H26FN3O/c1-23(2)18-11-7-16(8-12-18)19(24(3)4)14-22-20(25)13-15-5-9-17(21)10-6-15/h5-12,19H,13-14H2,1-4H3,(H,22,25)/t19-/m0/s1
InChIKeyMBCDZVTYTIPFGI-IBGZPJMESA-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_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001828
[(1R)-1-[4-(dimethylamino)phenyl]-2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-dimethylazanium
CID 7495842
N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 7639205
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001623
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]propanamide
CID 7496001
1-[4-(dimethylamino)phenyl]-N'-[(4-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 110826343
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 7496721
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ium-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 7496720
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide
CID 30834307
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 18588939
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-ethoxyacetamide
CID 7495981
5-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]furan-2-carboxamide
CID 41453654

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(4-fluorophenyl)acetamide (CID 7495843) is N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(4-fluorophenyl)acetamide is CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(F)cc2)N(C)C)cc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is MBCDZVTYTIPFGI-IBGZPJMESA-N. The full InChI is InChI=1S/C20H26FN3O/c1-23(2)18-11-7-16(8-12-18)19(24(3)4)14-22-20(25)13-15-5-9-17(21)10-6-15/h5-12,19H,13-14H2,1-4H3,(H,22,25)/t19-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(4-fluorophenyl)acetamide?
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(4-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 N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 7495843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).