4-[(4-fluoroanilino)methyl]-7-methylchromen-2-one

C17H14FNO2 — CID 25146135

IUPAC4-[(4-fluoroanilino)methyl]-7-methylchromen-2-one
SMILESCc1ccc2c(CNc3ccc(F)cc3)cc(=O)oc2c1
InChIInChI=1S/C17H14FNO2/c1-11-2-7-15-12(9-17(20)21-16(15)8-11)10-19-14-5-3-13(18)4-6-14/h2-9,19H,10H2,1H3
InChIKeyFCLZMYVAWIKCNA-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.85
Rot. Bonds3

About 4-[(4-fluoroanilino)methyl]-7-methylchromen-2-one

4-[(4-fluoroanilino)methyl]-7-methylchromen-2-one (PubChem CID 25146135) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 4-[(4-fluoroanilino)methyl]-7-methylchromen-2-one.

Molecular Properties

Compound Name4-[(4-fluoroanilino)methyl]-7-methylchromen-2-one
PubChem CID25146135
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name4-[(4-fluoroanilino)methyl]-7-methylchromen-2-one
SMILESCc1ccc2c(CNc3ccc(F)cc3)cc(=O)oc2c1
InChIInChI=1S/C17H14FNO2/c1-11-2-7-15-12(9-17(20)21-16(15)8-11)10-19-14-5-3-13(18)4-6-14/h2-9,19H,10H2,1H3
InChIKeyFCLZMYVAWIKCNA-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
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

7-methyl-4-(methylaminomethyl)chromen-2-one
CID 27153679
N-(4-fluorophenyl)-2-[(7-methyl-2-oxochromen-4-yl)methyl]-3-oxobutanamide
CID 3641289
3-fluoro-4-methyl-5-[(7-methyl-2-oxochromen-4-yl)methylamino]benzamide
CID 71876632
2-methyl-2-[(7-methyl-2-oxochromen-4-yl)methylamino]butanoic acid
CID 79788878
4-[[1-(2-fluorophenyl)ethylamino]methyl]-7-methylchromen-2-one
CID 18086114
2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide
CID 40805355
4-[(3-chloro-4-fluoroanilino)methyl]-7-methoxychromen-2-one
CID 36587616
4-[[3-(cyclohexyloxymethyl)anilino]methyl]-7-methylchromen-2-one
CID 99805933
5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione
CID 56517853
2-(7-methyl-2-oxochromen-4-yl)acetate
CID 4257034
4-[[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]methyl]-7-methylchromen-2-one
CID 71887630
4-[[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]methyl]-7-methylchromen-2-one
CID 94454335

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoroanilino)methyl]-7-methylchromen-2-one?
The IUPAC name of 4-[(4-fluoroanilino)methyl]-7-methylchromen-2-one (CID 25146135) is 4-[(4-fluoroanilino)methyl]-7-methylchromen-2-one.
What is the SMILES notation for 4-[(4-fluoroanilino)methyl]-7-methylchromen-2-one?
The canonical SMILES for 4-[(4-fluoroanilino)methyl]-7-methylchromen-2-one is Cc1ccc2c(CNc3ccc(F)cc3)cc(=O)oc2c1.
What is the InChIKey of 4-[(4-fluoroanilino)methyl]-7-methylchromen-2-one?
The InChIKey is FCLZMYVAWIKCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-11-2-7-15-12(9-17(20)21-16(15)8-11)10-19-14-5-3-13(18)4-6-14/h2-9,19H,10H2,1H3.
What are the key properties of 4-[(4-fluoroanilino)methyl]-7-methylchromen-2-one?
4-[(4-fluoroanilino)methyl]-7-methylchromen-2-one has a molecular weight of 283.30 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoroanilino)methyl]-7-methylchromen-2-one is sourced from PubChem (CID 25146135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).