N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N'-(2-methoxy-5-methylphenyl)oxamide

C20H21FN2O3 — CID 42335571

IUPACN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N'-(2-methoxy-5-methylphenyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN2O3/c1-13-3-8-17(26-2)16(11-13)23-19(25)18(24)22-12-20(9-10-20)14-4-6-15(21)7-5-14/h3-8,11H,9-10,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyAXLSNOCHUIISNG-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.93
Rot. Bonds5

About N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N'-(2-methoxy-5-methylphenyl)oxamide

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N'-(2-methoxy-5-methylphenyl)oxamide (PubChem CID 42335571) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N'-(2-methoxy-5-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N'-(2-methoxy-5-methylphenyl)oxamide
PubChem CID42335571
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N'-(2-methoxy-5-methylphenyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN2O3/c1-13-3-8-17(26-2)16(11-13)23-19(25)18(24)22-12-20(9-10-20)14-4-6-15(21)7-5-14/h3-8,11H,9-10,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyAXLSNOCHUIISNG-UHFFFAOYSA-N
XLogP2.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.93
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-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44998456
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4,5-trimethoxybenzamide
CID 42265991
N-(2-chloroethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 108513847
N-(2-methoxyethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 2876194
ethyl 2-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-2-oxoacetate
CID 110481833
N'-(2-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 7647050
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide
CID 42266052
3-(3,4-dimethoxyphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 113090680
N'-(4-ethylphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide
CID 42335602
N'-(4-fluorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 23606974
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-(4-methoxyphenyl)oxamide
CID 27453070
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(4-methylphenyl)methyl]urea
CID 113214301

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N'-(2-methoxy-5-methylphenyl)oxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N'-(2-methoxy-5-methylphenyl)oxamide (CID 42335571) is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N'-(2-methoxy-5-methylphenyl)oxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N'-(2-methoxy-5-methylphenyl)oxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N'-(2-methoxy-5-methylphenyl)oxamide is COc1ccc(C)cc1NC(=O)C(=O)NCC1(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N'-(2-methoxy-5-methylphenyl)oxamide?
The InChIKey is AXLSNOCHUIISNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-13-3-8-17(26-2)16(11-13)23-19(25)18(24)22-12-20(9-10-20)14-4-6-15(21)7-5-14/h3-8,11H,9-10,12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N'-(2-methoxy-5-methylphenyl)oxamide?
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N'-(2-methoxy-5-methylphenyl)oxamide has a molecular weight of 356.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N'-(2-methoxy-5-methylphenyl)oxamide is sourced from PubChem (CID 42335571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).