N-[(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzamide

C16H15FN2O3 — CID 2693745

IUPACN-[(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NN=Cc2cccc(F)c2)cc1OC
InChIInChI=1S/C16H15FN2O3/c1-21-14-7-6-12(9-15(14)22-2)16(20)19-18-10-11-4-3-5-13(17)8-11/h3-10H,1-2H3,(H,19,20)
InChIKeyQSUURPCGCUBIHD-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.61
Rot. Bonds5

About N-[(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzamide

N-[(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzamide (PubChem CID 2693745) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzamide
PubChem CID2693745
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC NameN-[(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NN=Cc2cccc(F)c2)cc1OC
InChIInChI=1S/C16H15FN2O3/c1-21-14-7-6-12(9-15(14)22-2)16(20)19-18-10-11-4-3-5-13(17)8-11/h3-10H,1-2H3,(H,19,20)
InChIKeyQSUURPCGCUBIHD-UHFFFAOYSA-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-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 46804116
3,4-dimethoxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 6910508
N-[(3-chlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 2693736
N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126329870
3-(3,4-dimethoxyphenyl)-N-[(3-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 2046118
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
3,4-dimethoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 5335848
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 86809500
N-[(E)-[3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126322599
4-ethoxy-N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126315816
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
N-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6906719

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzamide (CID 2693745) is N-[(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NN=Cc2cccc(F)c2)cc1OC.
What is the InChIKey of N-[(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzamide?
The InChIKey is QSUURPCGCUBIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3/c1-21-14-7-6-12(9-15(14)22-2)16(20)19-18-10-11-4-3-5-13(17)8-11/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-[(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzamide?
N-[(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzamide 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-[(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzamide is sourced from PubChem (CID 2693745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).