N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]-N-(4-methylphenyl)oxamide

C19H19F2N3O3 — CID 9180158

IUPACN'-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C\c2cc(C)c(OC(F)F)c(C)c2)cc1
InChIInChI=1S/C19H19F2N3O3/c1-11-4-6-15(7-5-11)23-17(25)18(26)24-22-10-14-8-12(2)16(13(3)9-14)27-19(20)21/h4-10,19H,1-3H3,(H,23,25)(H,24,26)/b22-10-
InChIKeyDAZJDPLNMLGXFL-YVNNLAQVSA-N
MW375.38 g/mol
LogP3.30
Rot. Bonds5

About N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]-N-(4-methylphenyl)oxamide

N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]-N-(4-methylphenyl)oxamide (PubChem CID 9180158) has the molecular formula C19H19F2N3O3 and a molecular weight of 375.38 g/mol. Its IUPAC name is N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]-N-(4-methylphenyl)oxamide
PubChem CID9180158
Molecular FormulaC19H19F2N3O3
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC NameN'-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C\c2cc(C)c(OC(F)F)c(C)c2)cc1
InChIInChI=1S/C19H19F2N3O3/c1-11-4-6-15(7-5-11)23-17(25)18(26)24-22-10-14-8-12(2)16(13(3)9-14)27-19(20)21/h4-10,19H,1-3H3,(H,23,25)(H,24,26)/b22-10-
InChIKeyDAZJDPLNMLGXFL-YVNNLAQVSA-N
XLogP3.30
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.30
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)-(3,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 9179776
N'-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 8900582
tert-butyl N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]carbamate
CID 9074714
N'-[(Z)-(3,4-difluorophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 9180073
N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]pyridine-2-carboxamide
CID 9015650
4-[[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 3825243
N-(4-methylphenyl)-N'-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide
CID 9155826
N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-N-propan-2-yloxamide
CID 9352006
N'-[(Z)-(4-methylphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8896208
N-(4-methylphenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 3695690
N'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9156010
N-(3,5-dimethylphenyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide
CID 6108260

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]-N-(4-methylphenyl)oxamide (CID 9180158) is N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]-N-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)N/N=C\c2cc(C)c(OC(F)F)c(C)c2)cc1.
What is the InChIKey of N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]-N-(4-methylphenyl)oxamide?
The InChIKey is DAZJDPLNMLGXFL-YVNNLAQVSA-N. The full InChI is InChI=1S/C19H19F2N3O3/c1-11-4-6-15(7-5-11)23-17(25)18(26)24-22-10-14-8-12(2)16(13(3)9-14)27-19(20)21/h4-10,19H,1-3H3,(H,23,25)(H,24,26)/b22-10-.
What are the key properties of N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]-N-(4-methylphenyl)oxamide?
N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]-N-(4-methylphenyl)oxamide has a molecular weight of 375.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 9180158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).