3-fluoro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide

C17H17FN2O2 — CID 4286726

IUPAC3-fluoro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
SMILESCCC(=NNC(=O)c1cccc(F)c1)c1ccc(OC)cc1
InChIInChI=1S/C17H17FN2O2/c1-3-16(12-7-9-15(22-2)10-8-12)19-20-17(21)13-5-4-6-14(18)11-13/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyBKHZTQKLJLLGMC-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.38
Rot. Bonds5

About 3-fluoro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide

3-fluoro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide (PubChem CID 4286726) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 3-fluoro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
PubChem CID4286726
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name3-fluoro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
SMILESCCC(=NNC(=O)c1cccc(F)c1)c1ccc(OC)cc1
InChIInChI=1S/C17H17FN2O2/c1-3-16(12-7-9-15(22-2)10-8-12)19-20-17(21)13-5-4-6-14(18)11-13/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyBKHZTQKLJLLGMC-UHFFFAOYSA-N
XLogP3.38
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-(4-methoxyphenyl)propylideneamino]-3-methylbenzamide
CID 840640
N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide
CID 5000617
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide
CID 6062098
3-fluoro-N-[(E)-1-phenylpentylideneamino]benzamide
CID 19685646
2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
CID 4096350
2-(2-fluorophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide
CID 9316868
N-[(E)-1-(4-methoxyphenyl)propylideneamino]pentanamide
CID 6379049
methyl N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]carbamate
CID 8972630
4-methoxy-N-[(E)-1-phenylhexylideneamino]benzamide
CID 6370113
N-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide
CID 4168885
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-fluorobenzamide
CID 5391556
N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide
CID 40604063

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide?
The IUPAC name of 3-fluoro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide (CID 4286726) is 3-fluoro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide.
What is the SMILES notation for 3-fluoro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide?
The canonical SMILES for 3-fluoro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide is CCC(=NNC(=O)c1cccc(F)c1)c1ccc(OC)cc1.
What is the InChIKey of 3-fluoro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide?
The InChIKey is BKHZTQKLJLLGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-3-16(12-7-9-15(22-2)10-8-12)19-20-17(21)13-5-4-6-14(18)11-13/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of 3-fluoro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide?
3-fluoro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide has a molecular weight of 300.33 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide is sourced from PubChem (CID 4286726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).