N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-fluorophenyl)oxamide

C20H25FN4O2 — CID 7639329

IUPACN-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-fluorophenyl)oxamide
SMILESCN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2F)N(C)C)cc1
InChIInChI=1S/C20H25FN4O2/c1-24(2)15-11-9-14(10-12-15)18(25(3)4)13-22-19(26)20(27)23-17-8-6-5-7-16(17)21/h5-12,18H,13H2,1-4H3,(H,22,26)(H,23,27)/t18-/m1/s1
InChIKeyGJFDPROQEQPGAC-GOSISDBHSA-N
MW372.44 g/mol
LogP2.25
Rot. Bonds6

About N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-fluorophenyl)oxamide

N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-fluorophenyl)oxamide (PubChem CID 7639329) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-fluorophenyl)oxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-fluorophenyl)oxamide
PubChem CID7639329
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC NameN-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-fluorophenyl)oxamide
SMILESCN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2F)N(C)C)cc1
InChIInChI=1S/C20H25FN4O2/c1-24(2)15-11-9-14(10-12-15)18(25(3)4)13-22-19(26)20(27)23-17-8-6-5-7-16(17)21/h5-12,18H,13H2,1-4H3,(H,22,26)(H,23,27)/t18-/m1/s1
InChIKeyGJFDPROQEQPGAC-GOSISDBHSA-N
XLogP2.25
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-ethoxyphenyl)oxamide
CID 7192247
N-benzyl-N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 7639141
N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2-fluorophenyl)oxamide
CID 40890402
N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 7639205
N'-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-prop-2-enyloxamide
CID 7639168
N'-(2,2-diethoxyethyl)-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 7639297
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(4-ethoxyphenyl)oxamide
CID 7192210
N'-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 18583527
N-[2-(dimethylamino)ethyl]-N'-(2-fluorophenyl)oxamide
CID 7541475
N-[2-(4-chlorophenyl)ethyl]-N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 7639197
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]propanamide
CID 7496001
N'-(1,3-benzodioxol-5-yl)-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 7192204

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-fluorophenyl)oxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-fluorophenyl)oxamide (CID 7639329) is N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-fluorophenyl)oxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-fluorophenyl)oxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-fluorophenyl)oxamide is CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2F)N(C)C)cc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-fluorophenyl)oxamide?
The InChIKey is GJFDPROQEQPGAC-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-24(2)15-11-9-14(10-12-15)18(25(3)4)13-22-19(26)20(27)23-17-8-6-5-7-16(17)21/h5-12,18H,13H2,1-4H3,(H,22,26)(H,23,27)/t18-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-fluorophenyl)oxamide?
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-fluorophenyl)oxamide has a molecular weight of 372.44 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-fluorophenyl)oxamide is sourced from PubChem (CID 7639329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).