N-(2-fluorophenyl)-N'-[(Z)-(3-methoxyphenyl)methylideneamino]oxamide

C16H14FN3O3 — CID 6174024

IUPACN-(2-fluorophenyl)-N'-[(Z)-(3-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1cccc(/C=N\NC(=O)C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C16H14FN3O3/c1-23-12-6-4-5-11(9-12)10-18-20-16(22)15(21)19-14-8-3-2-7-13(14)17/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10-
InChIKeyPZMVVHGAUWRERH-ZDLGFXPLSA-N
MW315.30 g/mol
LogP1.92
Rot. Bonds4

About N-(2-fluorophenyl)-N'-[(Z)-(3-methoxyphenyl)methylideneamino]oxamide

N-(2-fluorophenyl)-N'-[(Z)-(3-methoxyphenyl)methylideneamino]oxamide (PubChem CID 6174024) has the molecular formula C16H14FN3O3 and a molecular weight of 315.30 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N'-[(Z)-(3-methoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N'-[(Z)-(3-methoxyphenyl)methylideneamino]oxamide
PubChem CID6174024
Molecular FormulaC16H14FN3O3
Molecular Weight315.30 g/mol
Exact Mass315.10
IUPAC NameN-(2-fluorophenyl)-N'-[(Z)-(3-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1cccc(/C=N\NC(=O)C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C16H14FN3O3/c1-23-12-6-4-5-11(9-12)10-18-20-16(22)15(21)19-14-8-3-2-7-13(14)17/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10-
InChIKeyPZMVVHGAUWRERH-ZDLGFXPLSA-N
XLogP1.92
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 51.92
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-(2-fluorophenyl)-N'-[(3-methoxyphenyl)methylideneamino]butanediamide
CID 3539008
1-(2-fluorophenyl)-3-[(Z)-(3-methoxyphenyl)methylideneamino]thiourea
CID 7933641
N-(2-fluorophenyl)-N'-[(Z)-[3-methoxy-4-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126265377
N-(2-fluorophenyl)-N'-[(Z)-[3-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126269846
N'-[(Z)-[3-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126264285
N'-[(Z)-[3-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126181675
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(3-methoxyphenyl)methylideneamino]oxamide
CID 4166909
N'-[(Z)-[3-[2-(4-bromo-3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126272330
methyl 2-[4-[(Z)-[[2-(2-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 94832671
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
(E)-2-cyano-N-(2-fluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 7480752
[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
CID 87622449

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N'-[(Z)-(3-methoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(2-fluorophenyl)-N'-[(Z)-(3-methoxyphenyl)methylideneamino]oxamide (CID 6174024) is N-(2-fluorophenyl)-N'-[(Z)-(3-methoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2-fluorophenyl)-N'-[(Z)-(3-methoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2-fluorophenyl)-N'-[(Z)-(3-methoxyphenyl)methylideneamino]oxamide is COc1cccc(/C=N\NC(=O)C(=O)Nc2ccccc2F)c1.
What is the InChIKey of N-(2-fluorophenyl)-N'-[(Z)-(3-methoxyphenyl)methylideneamino]oxamide?
The InChIKey is PZMVVHGAUWRERH-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H14FN3O3/c1-23-12-6-4-5-11(9-12)10-18-20-16(22)15(21)19-14-8-3-2-7-13(14)17/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10-.
What are the key properties of N-(2-fluorophenyl)-N'-[(Z)-(3-methoxyphenyl)methylideneamino]oxamide?
N-(2-fluorophenyl)-N'-[(Z)-(3-methoxyphenyl)methylideneamino]oxamide has a molecular weight of 315.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N'-[(Z)-(3-methoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 6174024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).