1-(4-chlorophenyl)-2-fluoro-N-(4-methoxyphenyl)prop-2-en-1-imine

C16H13ClFNO — CID 101158528

IUPAC1-(4-chlorophenyl)-2-fluoro-N-(4-methoxyphenyl)prop-2-en-1-imine
SMILESC=C(F)/C(=N\c1ccc(OC)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClFNO/c1-11(18)16(12-3-5-13(17)6-4-12)19-14-7-9-15(20-2)10-8-14/h3-10H,1H2,2H3/b19-16+
InChIKeyYCMGCCNQDXAQGE-KNTRCKAVSA-N
MW289.74 g/mol
LogP4.95
Rot. Bonds4

About 1-(4-chlorophenyl)-2-fluoro-N-(4-methoxyphenyl)prop-2-en-1-imine

1-(4-chlorophenyl)-2-fluoro-N-(4-methoxyphenyl)prop-2-en-1-imine (PubChem CID 101158528) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-fluoro-N-(4-methoxyphenyl)prop-2-en-1-imine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-fluoro-N-(4-methoxyphenyl)prop-2-en-1-imine
PubChem CID101158528
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name1-(4-chlorophenyl)-2-fluoro-N-(4-methoxyphenyl)prop-2-en-1-imine
SMILESC=C(F)/C(=N\c1ccc(OC)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClFNO/c1-11(18)16(12-3-5-13(17)6-4-12)19-14-7-9-15(20-2)10-8-14/h3-10H,1H2,2H3/b19-16+
InChIKeyYCMGCCNQDXAQGE-KNTRCKAVSA-N
XLogP4.95
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-fluoro-N-(4-methoxyphenyl)prop-2-en-1-imine?
The IUPAC name of 1-(4-chlorophenyl)-2-fluoro-N-(4-methoxyphenyl)prop-2-en-1-imine (CID 101158528) is 1-(4-chlorophenyl)-2-fluoro-N-(4-methoxyphenyl)prop-2-en-1-imine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-fluoro-N-(4-methoxyphenyl)prop-2-en-1-imine?
The canonical SMILES for 1-(4-chlorophenyl)-2-fluoro-N-(4-methoxyphenyl)prop-2-en-1-imine is C=C(F)/C(=N\c1ccc(OC)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-fluoro-N-(4-methoxyphenyl)prop-2-en-1-imine?
The InChIKey is YCMGCCNQDXAQGE-KNTRCKAVSA-N. The full InChI is InChI=1S/C16H13ClFNO/c1-11(18)16(12-3-5-13(17)6-4-12)19-14-7-9-15(20-2)10-8-14/h3-10H,1H2,2H3/b19-16+.
What are the key properties of 1-(4-chlorophenyl)-2-fluoro-N-(4-methoxyphenyl)prop-2-en-1-imine?
1-(4-chlorophenyl)-2-fluoro-N-(4-methoxyphenyl)prop-2-en-1-imine has a molecular weight of 289.74 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-fluoro-N-(4-methoxyphenyl)prop-2-en-1-imine is sourced from PubChem (CID 101158528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).