3-[(2-fluorophenyl)methylamino]chromen-2-one

C16H12FNO2 — CID 141452549

IUPAC3-[(2-fluorophenyl)methylamino]chromen-2-one
SMILESO=c1oc2ccccc2cc1NCc1ccccc1F
InChIInChI=1S/C16H12FNO2/c17-13-7-3-1-6-12(13)10-18-14-9-11-5-2-4-8-15(11)20-16(14)19/h1-9,18H,10H2
InChIKeyFBXQRFMKTUEIJJ-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.54
Rot. Bonds3

About 3-[(2-fluorophenyl)methylamino]chromen-2-one

3-[(2-fluorophenyl)methylamino]chromen-2-one (PubChem CID 141452549) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylamino]chromen-2-one.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylamino]chromen-2-one
PubChem CID141452549
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name3-[(2-fluorophenyl)methylamino]chromen-2-one
SMILESO=c1oc2ccccc2cc1NCc1ccccc1F
InChIInChI=1S/C16H12FNO2/c17-13-7-3-1-6-12(13)10-18-14-9-11-5-2-4-8-15(11)20-16(14)19/h1-9,18H,10H2
InChIKeyFBXQRFMKTUEIJJ-UHFFFAOYSA-N
XLogP3.54
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.54
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

Coumarin, 3-amino-4-methylamino-
CID 42997
3-Benzamidocoumarin
CID 252608
4-Morpholin-4-yl-chromen-2-one
CID 804048
3-hydroxy-4-oxo-6-(2-phenoxyphenyl)-1H-pyridine-2-carboxylic acid
CID 138539091
4-(benzylamino)-2H-chromen-2-one
CID 825502
3-{[(2-Hydroxyphenyl)methyl]amino}-2H-chromen-2-one
CID 4122242
4-Benzylamino-3-nitrocoumarin
CID 39684
3-Amino-4-benzylaminocoumarin
CID 42999
3-Amino-4-propylamino-chromen-2-one
CID 1712720
7-[(2-Phenoxy-ethylamino)-methyl]-chromen-2-one
CID 9796180
4-[(1-cinnamyl-4-piperidinyl)amino]-2H-chromen-2-one
CID 11837128
2H-1-Benzopyran-2-one, 4-[(2-phenylethyl)amino]-
CID 3159821

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methylamino]chromen-2-one?
The IUPAC name of 3-[(2-fluorophenyl)methylamino]chromen-2-one (CID 141452549) is 3-[(2-fluorophenyl)methylamino]chromen-2-one.
What is the SMILES notation for 3-[(2-fluorophenyl)methylamino]chromen-2-one?
The canonical SMILES for 3-[(2-fluorophenyl)methylamino]chromen-2-one is O=c1oc2ccccc2cc1NCc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methylamino]chromen-2-one?
The InChIKey is FBXQRFMKTUEIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c17-13-7-3-1-6-12(13)10-18-14-9-11-5-2-4-8-15(11)20-16(14)19/h1-9,18H,10H2.
What are the key properties of 3-[(2-fluorophenyl)methylamino]chromen-2-one?
3-[(2-fluorophenyl)methylamino]chromen-2-one has a molecular weight of 269.28 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methylamino]chromen-2-one is sourced from PubChem (CID 141452549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).