2-[(4-fluorophenyl)carbamoylamino]-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide

C17H17FN4O4 — CID 6027564

IUPAC2-[(4-fluorophenyl)carbamoylamino]-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N\NC(=O)CNC(=O)Nc2ccc(F)cc2)cc1O
InChIInChI=1S/C17H17FN4O4/c1-26-15-7-2-11(8-14(15)23)9-20-22-16(24)10-19-17(25)21-13-5-3-12(18)4-6-13/h2-9,23H,10H2,1H3,(H,22,24)(H2,19,21,25)/b20-9-
InChIKeyQSXUKQOGSBKHEF-UKWGHVSLSA-N
MW360.35 g/mol
LogP1.81
Rot. Bonds6

About 2-[(4-fluorophenyl)carbamoylamino]-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide

2-[(4-fluorophenyl)carbamoylamino]-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide (PubChem CID 6027564) has the molecular formula C17H17FN4O4 and a molecular weight of 360.35 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)carbamoylamino]-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)carbamoylamino]-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
PubChem CID6027564
Molecular FormulaC17H17FN4O4
Molecular Weight360.35 g/mol
Exact Mass360.12
IUPAC Name2-[(4-fluorophenyl)carbamoylamino]-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N\NC(=O)CNC(=O)Nc2ccc(F)cc2)cc1O
InChIInChI=1S/C17H17FN4O4/c1-26-15-7-2-11(8-14(15)23)9-20-22-16(24)10-19-17(25)21-13-5-3-12(18)4-6-13/h2-9,23H,10H2,1H3,(H,22,24)(H2,19,21,25)/b20-9-
InChIKeyQSXUKQOGSBKHEF-UKWGHVSLSA-N
XLogP1.81
TPSA112.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-fluorophenyl)carbamoylamino]-N-[(4-methylphenyl)methylideneamino]acetamide
CID 4052582
2-(4-fluoroanilino)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 770408
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 124557656
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 86809500
N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 5404952
4-(2,2-dimethylpropanoylamino)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 6019682
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 8974942
N-(4-fluorophenyl)-2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]acetamide
CID 3619627
2-(4-fluoroanilino)-N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide
CID 137180677
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
CID 910496
5-[[(2,4-difluorophenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 4654960
1-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea
CID 5417764

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)carbamoylamino]-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)carbamoylamino]-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide (CID 6027564) is 2-[(4-fluorophenyl)carbamoylamino]-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)carbamoylamino]-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)carbamoylamino]-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide is COc1ccc(/C=N\NC(=O)CNC(=O)Nc2ccc(F)cc2)cc1O.
What is the InChIKey of 2-[(4-fluorophenyl)carbamoylamino]-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is QSXUKQOGSBKHEF-UKWGHVSLSA-N. The full InChI is InChI=1S/C17H17FN4O4/c1-26-15-7-2-11(8-14(15)23)9-20-22-16(24)10-19-17(25)21-13-5-3-12(18)4-6-13/h2-9,23H,10H2,1H3,(H,22,24)(H2,19,21,25)/b20-9-.
What are the key properties of 2-[(4-fluorophenyl)carbamoylamino]-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide?
2-[(4-fluorophenyl)carbamoylamino]-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 360.35 g/mol, XLogP of 1.81, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)carbamoylamino]-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6027564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).