N'-(4-ethylphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide

C20H21FN2O2 — CID 42335602

IUPACN'-(4-ethylphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H21FN2O2/c1-2-14-3-9-17(10-4-14)23-19(25)18(24)22-13-20(11-12-20)15-5-7-16(21)8-6-15/h3-10H,2,11-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyRQRLEMOJJHFLCK-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.17
Rot. Bonds5

About N'-(4-ethylphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide

N'-(4-ethylphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide (PubChem CID 42335602) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N'-(4-ethylphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide.

Molecular Properties

Compound NameN'-(4-ethylphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide
PubChem CID42335602
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN'-(4-ethylphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H21FN2O2/c1-2-14-3-9-17(10-4-14)23-19(25)18(24)22-13-20(11-12-20)15-5-7-16(21)8-6-15/h3-10H,2,11-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyRQRLEMOJJHFLCK-UHFFFAOYSA-N
XLogP3.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,4-difluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide
CID 42335594
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
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 27453183
ethyl 2-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-2-oxoacetate
CID 110481833
N'-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-N-[(1-phenylcyclopropyl)methyl]oxamide
CID 86996810
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(4-methylphenyl)methyl]urea
CID 113214301
1-(4-cyanophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214424
1-(3,4-difluorophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214427
N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2178334
N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954018
N'-(4-ethylphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]oxamide
CID 119104015

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide?
The IUPAC name of N'-(4-ethylphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide (CID 42335602) is N'-(4-ethylphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide.
What is the SMILES notation for N'-(4-ethylphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide?
The canonical SMILES for N'-(4-ethylphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide is CCc1ccc(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N'-(4-ethylphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide?
The InChIKey is RQRLEMOJJHFLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-2-14-3-9-17(10-4-14)23-19(25)18(24)22-13-20(11-12-20)15-5-7-16(21)8-6-15/h3-10H,2,11-13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-(4-ethylphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide?
N'-(4-ethylphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide has a molecular weight of 340.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide is sourced from PubChem (CID 42335602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).