3-[5-(ethylamino)-2-fluorophenyl]chromen-2-one

C17H14FNO2 — CID 91688920

IUPAC3-[5-(ethylamino)-2-fluorophenyl]chromen-2-one
SMILESCCNc1ccc(F)c(-c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C17H14FNO2/c1-2-19-12-7-8-15(18)13(10-12)14-9-11-5-3-4-6-16(11)21-17(14)20/h3-10,19H,2H2,1H3
InChIKeyNENSZLYISYLNLJ-UHFFFAOYSA-N
MW283.30 g/mol
LogP4.03
Rot. Bonds3

About 3-[5-(ethylamino)-2-fluorophenyl]chromen-2-one

3-[5-(ethylamino)-2-fluorophenyl]chromen-2-one (PubChem CID 91688920) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 3-[5-(ethylamino)-2-fluorophenyl]chromen-2-one.

Molecular Properties

Compound Name3-[5-(ethylamino)-2-fluorophenyl]chromen-2-one
PubChem CID91688920
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name3-[5-(ethylamino)-2-fluorophenyl]chromen-2-one
SMILESCCNc1ccc(F)c(-c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C17H14FNO2/c1-2-19-12-7-8-15(18)13(10-12)14-9-11-5-3-4-6-16(11)21-17(14)20/h3-10,19H,2H2,1H3
InChIKeyNENSZLYISYLNLJ-UHFFFAOYSA-N
XLogP4.03
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(ethylamino)-2-methylphenyl]chromen-2-one
CID 91688943
4-(1-benzofuran-2-yl)-N-ethylaniline
CID 54143610
3-(2-hydroxyphenyl)chromen-2-one
CID 819892
7-(ethylamino)-2-oxochromene-3-carbaldehyde
CID 89125523
N-[2-(2-oxochromen-3-yl)phenyl]acetamide
CID 164684022
3-phenylchromen-2-one;hydrochloride
CID 141206894
N-ethyl-1-benzofuran-2-amine;hydrochloride
CID 23165634
3-[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]chromen-2-one
CID 1121734
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]hexanamide
CID 4562851
3-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]chromen-2-one
CID 15263193
3-(butylamino)chromen-2-one
CID 154352647
3-trimethylsilylchromen-2-one
CID 71378789

Frequently Asked Questions

What is the IUPAC name of 3-[5-(ethylamino)-2-fluorophenyl]chromen-2-one?
The IUPAC name of 3-[5-(ethylamino)-2-fluorophenyl]chromen-2-one (CID 91688920) is 3-[5-(ethylamino)-2-fluorophenyl]chromen-2-one.
What is the SMILES notation for 3-[5-(ethylamino)-2-fluorophenyl]chromen-2-one?
The canonical SMILES for 3-[5-(ethylamino)-2-fluorophenyl]chromen-2-one is CCNc1ccc(F)c(-c2cc3ccccc3oc2=O)c1.
What is the InChIKey of 3-[5-(ethylamino)-2-fluorophenyl]chromen-2-one?
The InChIKey is NENSZLYISYLNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-2-19-12-7-8-15(18)13(10-12)14-9-11-5-3-4-6-16(11)21-17(14)20/h3-10,19H,2H2,1H3.
What are the key properties of 3-[5-(ethylamino)-2-fluorophenyl]chromen-2-one?
3-[5-(ethylamino)-2-fluorophenyl]chromen-2-one has a molecular weight of 283.30 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(ethylamino)-2-fluorophenyl]chromen-2-one is sourced from PubChem (CID 91688920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).