N'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(4-methylphenyl)oxamide

C18H17F2N3O3 — CID 9156010

IUPACN'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(4-methylphenyl)oxamide
SMILESC/C(=N/NC(=O)C(=O)Nc1ccc(C)cc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H17F2N3O3/c1-11-3-7-14(8-4-11)21-16(24)17(25)23-22-12(2)13-5-9-15(10-6-13)26-18(19)20/h3-10,18H,1-2H3,(H,21,24)(H,23,25)/b22-12-
InChIKeyCOFNJQZTWGGNDG-UUYOSTAYSA-N
MW361.35 g/mol
LogP3.08
Rot. Bonds5

About N'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(4-methylphenyl)oxamide

N'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(4-methylphenyl)oxamide (PubChem CID 9156010) has the molecular formula C18H17F2N3O3 and a molecular weight of 361.35 g/mol. Its IUPAC name is N'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(4-methylphenyl)oxamide
PubChem CID9156010
Molecular FormulaC18H17F2N3O3
Molecular Weight361.35 g/mol
Exact Mass361.12
IUPAC NameN'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(4-methylphenyl)oxamide
SMILESC/C(=N/NC(=O)C(=O)Nc1ccc(C)cc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H17F2N3O3/c1-11-3-7-14(8-4-11)21-16(24)17(25)23-22-12(2)13-5-9-15(10-6-13)26-18(19)20/h3-10,18H,1-2H3,(H,21,24)(H,23,25)/b22-12-
InChIKeyCOFNJQZTWGGNDG-UUYOSTAYSA-N
XLogP3.08
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)ethylideneamino]oxamide
CID 3377445
N'-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]-N-(4-methylphenyl)oxamide
CID 9179511
N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide
CID 2831844
methyl N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]carbamate
CID 6113890
[4-[N-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 4-methylbenzoate
CID 5051283
N-(4-chlorophenyl)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 19661028
N'-[(Z)-1-(4-butylphenyl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9180162
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide
CID 9359355
N-(4-ethoxyphenyl)-N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide
CID 135554232
N'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352879
N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312
[4-[(E)-N-[[2-(4-carbamoylanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 4-chlorobenzoate
CID 19659120

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(4-methylphenyl)oxamide (CID 9156010) is N'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(4-methylphenyl)oxamide is C/C(=N/NC(=O)C(=O)Nc1ccc(C)cc1)c1ccc(OC(F)F)cc1.
What is the InChIKey of N'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(4-methylphenyl)oxamide?
The InChIKey is COFNJQZTWGGNDG-UUYOSTAYSA-N. The full InChI is InChI=1S/C18H17F2N3O3/c1-11-3-7-14(8-4-11)21-16(24)17(25)23-22-12(2)13-5-9-15(10-6-13)26-18(19)20/h3-10,18H,1-2H3,(H,21,24)(H,23,25)/b22-12-.
What are the key properties of N'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(4-methylphenyl)oxamide?
N'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(4-methylphenyl)oxamide has a molecular weight of 361.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 9156010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).