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

C17H16ClFN4O2 — CID 19660151

IUPACN-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C17H16ClFN4O2/c1-23(2)13-6-3-11(4-7-13)10-20-22-17(25)16(24)21-12-5-8-15(19)14(18)9-12/h3-10H,1-2H3,(H,21,24)(H,22,25)/b20-10+
InChIKeySPGVEUUXFZPNAH-KEBDBYFISA-N
MW362.79 g/mol
LogP2.63
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide (PubChem CID 19660151) has the molecular formula C17H16ClFN4O2 and a molecular weight of 362.79 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
PubChem CID19660151
Molecular FormulaC17H16ClFN4O2
Molecular Weight362.79 g/mol
Exact Mass362.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C17H16ClFN4O2/c1-23(2)13-6-3-11(4-7-13)10-20-22-17(25)16(24)21-12-5-8-15(19)14(18)9-12/h3-10H,1-2H3,(H,21,24)(H,22,25)/b20-10+
InChIKeySPGVEUUXFZPNAH-KEBDBYFISA-N
XLogP2.63
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 52.63
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-(3,4-dichlorophenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
CID 6247065
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[[4-(dimethylamino)phenyl]methylideneamino]oxamide
CID 3117787
N-(3-chloro-4-fluorophenyl)-N'-[(E)-(3,4-dichlorophenyl)methylideneamino]oxamide
CID 19658573
N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-(3-fluorophenyl)oxamide
CID 4218592
N'-(1,3-benzodioxol-5-ylmethylideneamino)-N-(3-chloro-4-fluorophenyl)oxamide
CID 5046834
N-(3,4-dichlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
CID 2063705
N-(3-chloro-4-fluorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxypropanamide
CID 24511891
N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide
CID 4106726
N-(3,4-dichlorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide
CID 19658700
N-(3-chloro-4-methylphenyl)-N'-[[4-(diethylamino)phenyl]methylideneamino]oxamide
CID 3477063
N-(3-chloro-4-fluorophenyl)-N'-[(E)-furan-2-ylmethylideneamino]oxamide
CID 6890226
N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-methylsulfanylphenyl)methylideneamino]oxamide
CID 19660391

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide (CID 19660151) is N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide is CN(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide?
The InChIKey is SPGVEUUXFZPNAH-KEBDBYFISA-N. The full InChI is InChI=1S/C17H16ClFN4O2/c1-23(2)13-6-3-11(4-7-13)10-20-22-17(25)16(24)21-12-5-8-15(19)14(18)9-12/h3-10H,1-2H3,(H,21,24)(H,22,25)/b20-10+.
What are the key properties of N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide?
N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide has a molecular weight of 362.79 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide is sourced from PubChem (CID 19660151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).