N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-propyloxamide

C19H20FN3O3 — CID 8902643

IUPACN'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-propyloxamide
SMILESCCCNC(=O)C(=O)N/N=C\c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C19H20FN3O3/c1-2-11-21-18(24)19(25)23-22-12-15-5-3-4-6-17(15)26-13-14-7-9-16(20)10-8-14/h3-10,12H,2,11,13H2,1H3,(H,21,24)(H,23,25)/b22-12-
InChIKeyYNQKORZJRGSTMZ-UUYOSTAYSA-N
MW357.39 g/mol
LogP2.38
Rot. Bonds7

About N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-propyloxamide

N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-propyloxamide (PubChem CID 8902643) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-propyloxamide.

Molecular Properties

Compound NameN'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-propyloxamide
PubChem CID8902643
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC NameN'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-propyloxamide
SMILESCCCNC(=O)C(=O)N/N=C\c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C19H20FN3O3/c1-2-11-21-18(24)19(25)23-22-12-15-5-3-4-6-17(15)26-13-14-7-9-16(20)10-8-14/h3-10,12H,2,11,13H2,1H3,(H,21,24)(H,23,25)/b22-12-
InChIKeyYNQKORZJRGSTMZ-UUYOSTAYSA-N
XLogP2.38
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.38
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-butyl-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 8903006
N-(3,4-dimethylphenyl)-N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 8902607
N-(4-fluorophenyl)-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6263424
N-benzyl-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 8903011
2-[2-[(Z)-[[2-(butylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8989551
4-[[2-[(Z)-[[2-(methylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 8989417
N-(3-methoxypropyl)-N'-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 8902887
N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126338184
N'-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-propyloxamide
CID 8902463
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988782
N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-N-propan-2-yloxamide
CID 8902994
2-(2,4-dimethylphenyl)-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 133143940

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-propyloxamide?
The IUPAC name of N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-propyloxamide (CID 8902643) is N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-propyloxamide.
What is the SMILES notation for N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-propyloxamide?
The canonical SMILES for N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-propyloxamide is CCCNC(=O)C(=O)N/N=C\c1ccccc1OCc1ccc(F)cc1.
What is the InChIKey of N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-propyloxamide?
The InChIKey is YNQKORZJRGSTMZ-UUYOSTAYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-2-11-21-18(24)19(25)23-22-12-15-5-3-4-6-17(15)26-13-14-7-9-16(20)10-8-14/h3-10,12H,2,11,13H2,1H3,(H,21,24)(H,23,25)/b22-12-.
What are the key properties of N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-propyloxamide?
N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-propyloxamide has a molecular weight of 357.39 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-propyloxamide is sourced from PubChem (CID 8902643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).