N'-(4-fluoro-2-methylphenyl)-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]oxamide

C19H19FN2O3 — CID 95160458

IUPACN'-(4-fluoro-2-methylphenyl)-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]oxamide
SMILESCOc1ccc([C@H]2C[C@@H]2NC(=O)C(=O)Nc2ccc(F)cc2C)cc1
InChIInChI=1S/C19H19FN2O3/c1-11-9-13(20)5-8-16(11)21-18(23)19(24)22-17-10-15(17)12-3-6-14(25-2)7-4-12/h3-9,15,17H,10H2,1-2H3,(H,21,23)(H,22,24)/t15-,17+/m1/s1
InChIKeyGFZFRGHUYFHULM-WBVHZDCISA-N
MW342.37 g/mol
LogP2.75
Rot. Bonds4

About N'-(4-fluoro-2-methylphenyl)-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]oxamide

N'-(4-fluoro-2-methylphenyl)-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]oxamide (PubChem CID 95160458) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N'-(4-fluoro-2-methylphenyl)-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]oxamide.

Molecular Properties

Compound NameN'-(4-fluoro-2-methylphenyl)-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]oxamide
PubChem CID95160458
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN'-(4-fluoro-2-methylphenyl)-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]oxamide
SMILESCOc1ccc([C@H]2C[C@@H]2NC(=O)C(=O)Nc2ccc(F)cc2C)cc1
InChIInChI=1S/C19H19FN2O3/c1-11-9-13(20)5-8-16(11)21-18(23)19(24)22-17-10-15(17)12-3-6-14(25-2)7-4-12/h3-9,15,17H,10H2,1-2H3,(H,21,23)(H,22,24)/t15-,17+/m1/s1
InChIKeyGFZFRGHUYFHULM-WBVHZDCISA-N
XLogP2.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-N'-(2-methylphenyl)oxamide
CID 95300072
N-(4-fluoro-2-methylphenyl)-2-(4-methoxyphenyl)acetamide
CID 2676308
N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84569194
N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide
CID 166355477
N-(4-fluoro-2-methylphenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
CID 95299337
N-(4-fluoro-2-methylphenyl)-2-oxopropanamide
CID 143920338
1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 972200
N'-(2,4-difluorophenyl)-N-(2,4-dimethoxyphenyl)oxamide
CID 44998467
N-(4-fluoro-2-methylphenyl)-N'-propan-2-yloxamide
CID 47147961
trans-(1R,2R)-N-[(2,5-difluorophenyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 136583904
ethyl 2-(4-fluoro-2-methylanilino)-2-oxoacetate
CID 60893380
N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)oxamide
CID 108502691

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluoro-2-methylphenyl)-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]oxamide?
The IUPAC name of N'-(4-fluoro-2-methylphenyl)-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]oxamide (CID 95160458) is N'-(4-fluoro-2-methylphenyl)-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]oxamide.
What is the SMILES notation for N'-(4-fluoro-2-methylphenyl)-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]oxamide?
The canonical SMILES for N'-(4-fluoro-2-methylphenyl)-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]oxamide is COc1ccc([C@H]2C[C@@H]2NC(=O)C(=O)Nc2ccc(F)cc2C)cc1.
What is the InChIKey of N'-(4-fluoro-2-methylphenyl)-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]oxamide?
The InChIKey is GFZFRGHUYFHULM-WBVHZDCISA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-11-9-13(20)5-8-16(11)21-18(23)19(24)22-17-10-15(17)12-3-6-14(25-2)7-4-12/h3-9,15,17H,10H2,1-2H3,(H,21,23)(H,22,24)/t15-,17+/m1/s1.
What are the key properties of N'-(4-fluoro-2-methylphenyl)-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]oxamide?
N'-(4-fluoro-2-methylphenyl)-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]oxamide has a molecular weight of 342.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluoro-2-methylphenyl)-N-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]oxamide is sourced from PubChem (CID 95160458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).