N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide

C16H15FN2O3 — CID 6900272

IUPACN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C16H15FN2O3/c1-21-14-8-5-12(15(9-14)22-2)10-18-19-16(20)11-3-6-13(17)7-4-11/h3-10H,1-2H3,(H,19,20)/b18-10+
InChIKeyJQTZTNISJORPEE-VCHYOVAHSA-N
MW302.31 g/mol
LogP2.61
Rot. Bonds5

About N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide

N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide (PubChem CID 6900272) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
PubChem CID6900272
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC NameN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C16H15FN2O3/c1-21-14-8-5-12(15(9-14)22-2)10-18-19-16(20)11-3-6-13(17)7-4-11/h3-10H,1-2H3,(H,19,20)/b18-10+
InChIKeyJQTZTNISJORPEE-VCHYOVAHSA-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)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(4-methoxybenzoyl)amino]benzamide
CID 6262653
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-prop-1-en-2-ylbenzamide
CID 162458820
N-[(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 2592580
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 6907854
3,4-dichloro-N-[(2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 3367156
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6113425
4-fluoro-N-[(E)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]benzamide
CID 126075233
N-[4-[[(2,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 74905812
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
3-acetamido-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 5404431
N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 4193667
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 9016566

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide (CID 6900272) is N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide is COc1ccc(/C=N/NC(=O)c2ccc(F)cc2)c(OC)c1.
What is the InChIKey of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide?
The InChIKey is JQTZTNISJORPEE-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H15FN2O3/c1-21-14-8-5-12(15(9-14)22-2)10-18-19-16(20)11-3-6-13(17)7-4-11/h3-10H,1-2H3,(H,19,20)/b18-10+.
What are the key properties of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide?
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-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-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide is sourced from PubChem (CID 6900272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).