3-fluoro-4-methyl-5-[(7-methyl-2-oxochromen-4-yl)methylamino]benzamide

C19H17FN2O3 — CID 71876632

IUPAC3-fluoro-4-methyl-5-[(7-methyl-2-oxochromen-4-yl)methylamino]benzamide
SMILESCc1ccc2c(CNc3cc(C(N)=O)cc(F)c3C)cc(=O)oc2c1
InChIInChI=1S/C19H17FN2O3/c1-10-3-4-14-13(8-18(23)25-17(14)5-10)9-22-16-7-12(19(21)24)6-15(20)11(16)2/h3-8,22H,9H2,1-2H3,(H2,21,24)
InChIKeyHJTKQVWJVSWINB-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.26
Rot. Bonds4

About 3-fluoro-4-methyl-5-[(7-methyl-2-oxochromen-4-yl)methylamino]benzamide

3-fluoro-4-methyl-5-[(7-methyl-2-oxochromen-4-yl)methylamino]benzamide (PubChem CID 71876632) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 3-fluoro-4-methyl-5-[(7-methyl-2-oxochromen-4-yl)methylamino]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-5-[(7-methyl-2-oxochromen-4-yl)methylamino]benzamide
PubChem CID71876632
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name3-fluoro-4-methyl-5-[(7-methyl-2-oxochromen-4-yl)methylamino]benzamide
SMILESCc1ccc2c(CNc3cc(C(N)=O)cc(F)c3C)cc(=O)oc2c1
InChIInChI=1S/C19H17FN2O3/c1-10-3-4-14-13(8-18(23)25-17(14)5-10)9-22-16-7-12(19(21)24)6-15(20)11(16)2/h3-8,22H,9H2,1-2H3,(H2,21,24)
InChIKeyHJTKQVWJVSWINB-UHFFFAOYSA-N
XLogP3.26
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-fluoro-4-methyl-5-[(7-methyl-2-oxochromen-4-yl)methylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-bromo-4-methylphenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 115556847
4-[(4-fluoroanilino)methyl]-7-methylchromen-2-one
CID 25146135
3-[(2,4-difluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735711
7-methyl-4-(methylaminomethyl)chromen-2-one
CID 27153679
3-[(5-chlorofuran-2-yl)methylamino]-5-fluoro-4-methylbenzamide
CID 60780936
3-[(3-chloro-2-fluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 115744032
3-[(4-ethylphenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735719
5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79611958
2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide
CID 40805355
3-(cyclopentylmethylamino)-5-fluoro-4-methylbenzamide
CID 62070875
2-(7-methyl-2-oxochromen-4-yl)acetate
CID 4257034
(7-methyl-2-oxochromen-4-yl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235435

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-5-[(7-methyl-2-oxochromen-4-yl)methylamino]benzamide?
The IUPAC name of 3-fluoro-4-methyl-5-[(7-methyl-2-oxochromen-4-yl)methylamino]benzamide (CID 71876632) is 3-fluoro-4-methyl-5-[(7-methyl-2-oxochromen-4-yl)methylamino]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-5-[(7-methyl-2-oxochromen-4-yl)methylamino]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-5-[(7-methyl-2-oxochromen-4-yl)methylamino]benzamide is Cc1ccc2c(CNc3cc(C(N)=O)cc(F)c3C)cc(=O)oc2c1.
What is the InChIKey of 3-fluoro-4-methyl-5-[(7-methyl-2-oxochromen-4-yl)methylamino]benzamide?
The InChIKey is HJTKQVWJVSWINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-10-3-4-14-13(8-18(23)25-17(14)5-10)9-22-16-7-12(19(21)24)6-15(20)11(16)2/h3-8,22H,9H2,1-2H3,(H2,21,24).
What are the key properties of 3-fluoro-4-methyl-5-[(7-methyl-2-oxochromen-4-yl)methylamino]benzamide?
3-fluoro-4-methyl-5-[(7-methyl-2-oxochromen-4-yl)methylamino]benzamide has a molecular weight of 340.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-5-[(7-methyl-2-oxochromen-4-yl)methylamino]benzamide is sourced from PubChem (CID 71876632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).