N'-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]-N-(4-methylphenyl)oxamide

C20H21F2N3O3 — CID 9179511

IUPACN'-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]-N-(4-methylphenyl)oxamide
SMILESC/C(CCc1ccc(OC(F)F)cc1)=N/NC(=O)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H21F2N3O3/c1-13-3-9-16(10-4-13)23-18(26)19(27)25-24-14(2)5-6-15-7-11-17(12-8-15)28-20(21)22/h3-4,7-12,20H,5-6H2,1-2H3,(H,23,26)(H,25,27)/b24-14-
InChIKeyGRDGOKYGNVXJKY-OYKKKHCWSA-N
MW389.40 g/mol
LogP3.66
Rot. Bonds7

About N'-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]-N-(4-methylphenyl)oxamide

N'-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]-N-(4-methylphenyl)oxamide (PubChem CID 9179511) has the molecular formula C20H21F2N3O3 and a molecular weight of 389.40 g/mol. Its IUPAC name is N'-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]-N-(4-methylphenyl)oxamide
PubChem CID9179511
Molecular FormulaC20H21F2N3O3
Molecular Weight389.40 g/mol
Exact Mass389.16
IUPAC NameN'-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]-N-(4-methylphenyl)oxamide
SMILESC/C(CCc1ccc(OC(F)F)cc1)=N/NC(=O)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H21F2N3O3/c1-13-3-9-16(10-4-13)23-18(26)19(27)25-24-14(2)5-6-15-7-11-17(12-8-15)28-20(21)22/h3-4,7-12,20H,5-6H2,1-2H3,(H,23,26)(H,25,27)/b24-14-
InChIKeyGRDGOKYGNVXJKY-OYKKKHCWSA-N
XLogP3.66
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 53.66
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'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9156010
2-[4-(difluoromethoxy)phenyl]-N-(4-methylphenyl)acetamide
CID 33142215
N-(4-ethoxyphenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide
CID 7700055
N-[4-(difluoromethoxy)phenyl]-3-(4-ethylphenyl)propanamide
CID 9427794
2-bromo-N-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]benzamide
CID 9016538
N-(4-ethylphenyl)-N'-[(Z)-[4-(4-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 6322510
N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502657
N-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]-2-pyrrol-1-ylbenzamide
CID 9012395
N-(4-acetamidophenyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 35049094
N-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 26800978
N'-[(Z)-1-(4-butylphenyl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9180162
N,3-bis(4-methylphenyl)propanamide
CID 19220434

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]-N-(4-methylphenyl)oxamide (CID 9179511) is N'-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]-N-(4-methylphenyl)oxamide is C/C(CCc1ccc(OC(F)F)cc1)=N/NC(=O)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of N'-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]-N-(4-methylphenyl)oxamide?
The InChIKey is GRDGOKYGNVXJKY-OYKKKHCWSA-N. The full InChI is InChI=1S/C20H21F2N3O3/c1-13-3-9-16(10-4-13)23-18(26)19(27)25-24-14(2)5-6-15-7-11-17(12-8-15)28-20(21)22/h3-4,7-12,20H,5-6H2,1-2H3,(H,23,26)(H,25,27)/b24-14-.
What are the key properties of N'-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]-N-(4-methylphenyl)oxamide?
N'-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]-N-(4-methylphenyl)oxamide has a molecular weight of 389.40 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 9179511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).