N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-(3-fluorophenyl)oxamide

C17H17FN4O2 — CID 4218592

IUPACN'-[[4-(dimethylamino)phenyl]methylideneamino]-N-(3-fluorophenyl)oxamide
SMILESCN(C)c1ccc(C=NNC(=O)C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H17FN4O2/c1-22(2)15-8-6-12(7-9-15)11-19-21-17(24)16(23)20-14-5-3-4-13(18)10-14/h3-11H,1-2H3,(H,20,23)(H,21,24)
InChIKeyYEMYRXJPCNIAOD-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.98
Rot. Bonds4

About N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-(3-fluorophenyl)oxamide

N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-(3-fluorophenyl)oxamide (PubChem CID 4218592) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-(3-fluorophenyl)oxamide.

Molecular Properties

Compound NameN'-[[4-(dimethylamino)phenyl]methylideneamino]-N-(3-fluorophenyl)oxamide
PubChem CID4218592
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC NameN'-[[4-(dimethylamino)phenyl]methylideneamino]-N-(3-fluorophenyl)oxamide
SMILESCN(C)c1ccc(C=NNC(=O)C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H17FN4O2/c1-22(2)15-8-6-12(7-9-15)11-19-21-17(24)16(23)20-14-5-3-4-13(18)10-14/h3-11H,1-2H3,(H,20,23)(H,21,24)
InChIKeyYEMYRXJPCNIAOD-UHFFFAOYSA-N
XLogP1.98
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.98
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-(3-fluorophenyl)-N'-[(4-iodophenyl)methylideneamino]oxamide
CID 4570799
N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
CID 19660151
N-(3,4-dichlorophenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
CID 6247065
N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide
CID 4106726
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[[4-(dimethylamino)phenyl]methylideneamino]oxamide
CID 3117787
N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide
CID 21229401
N-(3-fluorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 5189069
1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea
CID 6875641
N'-(benzylideneamino)-N-(3-methylphenyl)oxamide
CID 4143039
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
N-(3-chlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 3280899
N-(3,4-dichlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
CID 2063705

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-(3-fluorophenyl)oxamide?
The IUPAC name of N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-(3-fluorophenyl)oxamide (CID 4218592) is N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-(3-fluorophenyl)oxamide.
What is the SMILES notation for N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-(3-fluorophenyl)oxamide?
The canonical SMILES for N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-(3-fluorophenyl)oxamide is CN(C)c1ccc(C=NNC(=O)C(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-(3-fluorophenyl)oxamide?
The InChIKey is YEMYRXJPCNIAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-22(2)15-8-6-12(7-9-15)11-19-21-17(24)16(23)20-14-5-3-4-13(18)10-14/h3-11H,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-(3-fluorophenyl)oxamide?
N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-(3-fluorophenyl)oxamide has a molecular weight of 328.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-(3-fluorophenyl)oxamide is sourced from PubChem (CID 4218592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).