N-(5-fluoropyrimidin-2-yl)-4-(4-methyl-2-oxochromen-7-yl)benzamide

C21H14FN3O3 — CID 154700855

IUPACN-(5-fluoropyrimidin-2-yl)-4-(4-methyl-2-oxochromen-7-yl)benzamide
SMILESCc1cc(=O)oc2cc(-c3ccc(C(=O)Nc4ncc(F)cn4)cc3)ccc12
InChIInChI=1S/C21H14FN3O3/c1-12-8-19(26)28-18-9-15(6-7-17(12)18)13-2-4-14(5-3-13)20(27)25-21-23-10-16(22)11-24-21/h2-11H,1H3,(H,23,24,25,27)
InChIKeyLHECPJFCJUFRKB-UHFFFAOYSA-N
MW375.36 g/mol
LogP3.95
Rot. Bonds3

About N-(5-fluoropyrimidin-2-yl)-4-(4-methyl-2-oxochromen-7-yl)benzamide

N-(5-fluoropyrimidin-2-yl)-4-(4-methyl-2-oxochromen-7-yl)benzamide (PubChem CID 154700855) has the molecular formula C21H14FN3O3 and a molecular weight of 375.36 g/mol. Its IUPAC name is N-(5-fluoropyrimidin-2-yl)-4-(4-methyl-2-oxochromen-7-yl)benzamide.

Molecular Properties

Compound NameN-(5-fluoropyrimidin-2-yl)-4-(4-methyl-2-oxochromen-7-yl)benzamide
PubChem CID154700855
Molecular FormulaC21H14FN3O3
Molecular Weight375.36 g/mol
Exact Mass375.10
IUPAC NameN-(5-fluoropyrimidin-2-yl)-4-(4-methyl-2-oxochromen-7-yl)benzamide
SMILESCc1cc(=O)oc2cc(-c3ccc(C(=O)Nc4ncc(F)cn4)cc3)ccc12
InChIInChI=1S/C21H14FN3O3/c1-12-8-19(26)28-18-9-15(6-7-17(12)18)13-2-4-14(5-3-13)20(27)25-21-23-10-16(22)11-24-21/h2-11H,1H3,(H,23,24,25,27)
InChIKeyLHECPJFCJUFRKB-UHFFFAOYSA-N
XLogP3.95
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoropyrimidin-2-yl)-4-(4-methyl-2-oxochromen-7-yl)benzamide?
The IUPAC name of N-(5-fluoropyrimidin-2-yl)-4-(4-methyl-2-oxochromen-7-yl)benzamide (CID 154700855) is N-(5-fluoropyrimidin-2-yl)-4-(4-methyl-2-oxochromen-7-yl)benzamide.
What is the SMILES notation for N-(5-fluoropyrimidin-2-yl)-4-(4-methyl-2-oxochromen-7-yl)benzamide?
The canonical SMILES for N-(5-fluoropyrimidin-2-yl)-4-(4-methyl-2-oxochromen-7-yl)benzamide is Cc1cc(=O)oc2cc(-c3ccc(C(=O)Nc4ncc(F)cn4)cc3)ccc12.
What is the InChIKey of N-(5-fluoropyrimidin-2-yl)-4-(4-methyl-2-oxochromen-7-yl)benzamide?
The InChIKey is LHECPJFCJUFRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O3/c1-12-8-19(26)28-18-9-15(6-7-17(12)18)13-2-4-14(5-3-13)20(27)25-21-23-10-16(22)11-24-21/h2-11H,1H3,(H,23,24,25,27).
What are the key properties of N-(5-fluoropyrimidin-2-yl)-4-(4-methyl-2-oxochromen-7-yl)benzamide?
N-(5-fluoropyrimidin-2-yl)-4-(4-methyl-2-oxochromen-7-yl)benzamide has a molecular weight of 375.36 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoropyrimidin-2-yl)-4-(4-methyl-2-oxochromen-7-yl)benzamide is sourced from PubChem (CID 154700855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).