N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-(2-methyl-5-nitrophenyl)oxamide

C19H21FN4O4 — CID 41454442

IUPACN-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-(2-methyl-5-nitrophenyl)oxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C
InChIInChI=1S/C19H21FN4O4/c1-12-4-9-15(24(27)28)10-16(12)22-19(26)18(25)21-11-17(23(2)3)13-5-7-14(20)8-6-13/h4-10,17H,11H2,1-3H3,(H,21,25)(H,22,26)/t17-/m0/s1
InChIKeyOLKPMPZUJBHHEU-KRWDZBQOSA-N
MW388.40 g/mol
LogP2.40
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-(2-methyl-5-nitrophenyl)oxamide

N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-(2-methyl-5-nitrophenyl)oxamide (PubChem CID 41454442) has the molecular formula C19H21FN4O4 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-(2-methyl-5-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-(2-methyl-5-nitrophenyl)oxamide
PubChem CID41454442
Molecular FormulaC19H21FN4O4
Molecular Weight388.40 g/mol
Exact Mass388.15
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-(2-methyl-5-nitrophenyl)oxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C
InChIInChI=1S/C19H21FN4O4/c1-12-4-9-15(24(27)28)10-16(12)22-19(26)18(25)21-11-17(23(2)3)13-5-7-14(20)8-6-13/h4-10,17H,11H2,1-3H3,(H,21,25)(H,22,26)/t17-/m0/s1
InChIKeyOLKPMPZUJBHHEU-KRWDZBQOSA-N
XLogP2.40
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 18589254
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide
CID 90496686
4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
CID 797390
2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 7228803
N-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-methyl-4-nitrobenzamide
CID 41453630
[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]azanium
CID 9133638
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 90582543
2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)propanamide
CID 132660136
2-(2,4-difluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 9046262
N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 7639205
N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 90536281
N-[(2-chlorophenyl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 18588915

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-(2-methyl-5-nitrophenyl)oxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-(2-methyl-5-nitrophenyl)oxamide (CID 41454442) is N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-(2-methyl-5-nitrophenyl)oxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-(2-methyl-5-nitrophenyl)oxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-(2-methyl-5-nitrophenyl)oxamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-(2-methyl-5-nitrophenyl)oxamide?
The InChIKey is OLKPMPZUJBHHEU-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21FN4O4/c1-12-4-9-15(24(27)28)10-16(12)22-19(26)18(25)21-11-17(23(2)3)13-5-7-14(20)8-6-13/h4-10,17H,11H2,1-3H3,(H,21,25)(H,22,26)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-(2-methyl-5-nitrophenyl)oxamide?
N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-(2-methyl-5-nitrophenyl)oxamide has a molecular weight of 388.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-(2-methyl-5-nitrophenyl)oxamide is sourced from PubChem (CID 41454442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).