N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-fluorobenzamide

C16H15FN2O3 — CID 5391556

IUPACN-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-fluorobenzamide
SMILESCOc1ccc(OC)c(/C=N\NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C16H15FN2O3/c1-21-14-6-7-15(22-2)12(9-14)10-18-19-16(20)11-4-3-5-13(17)8-11/h3-10H,1-2H3,(H,19,20)/b18-10-
InChIKeyUMSTTZGNHFQVCD-ZDLGFXPLSA-N
MW302.31 g/mol
LogP2.61
Rot. Bonds5

About N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-fluorobenzamide

N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-fluorobenzamide (PubChem CID 5391556) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-fluorobenzamide
PubChem CID5391556
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC NameN-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-fluorobenzamide
SMILESCOc1ccc(OC)c(/C=N\NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C16H15FN2O3/c1-21-14-6-7-15(22-2)12(9-14)10-18-19-16(20)11-4-3-5-13(17)8-11/h3-10H,1-2H3,(H,19,20)/b18-10-
InChIKeyUMSTTZGNHFQVCD-ZDLGFXPLSA-N
XLogP2.61
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549
N-[(2,5-dimethoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3949968
N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 4193667
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3,4-dihydroxybenzamide;hydrate
CID 139077599
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 6900272
N-[(2,5-dimethoxyphenyl)methylideneamino]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 1128449
methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
CID 5087461
N-[(2,5-dimethoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 939992
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-3-fluorobenzamide
CID 135504491
N-[(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 2693745
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 4304772
3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide
CID 1245790

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-fluorobenzamide?
The IUPAC name of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-fluorobenzamide (CID 5391556) is N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-fluorobenzamide.
What is the SMILES notation for N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-fluorobenzamide?
The canonical SMILES for N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-fluorobenzamide is COc1ccc(OC)c(/C=N\NC(=O)c2cccc(F)c2)c1.
What is the InChIKey of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-fluorobenzamide?
The InChIKey is UMSTTZGNHFQVCD-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H15FN2O3/c1-21-14-6-7-15(22-2)12(9-14)10-18-19-16(20)11-4-3-5-13(17)8-11/h3-10H,1-2H3,(H,19,20)/b18-10-.
What are the key properties of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-fluorobenzamide?
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-fluorobenzamide has a molecular weight of 302.31 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-fluorobenzamide is sourced from PubChem (CID 5391556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).