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

C17H11F2NO3 — CID 4598002

IUPAC2,5-difluoro-N-(4-methyl-2-oxochromen-7-yl)benzamide
SMILESCc1cc(=O)oc2cc(NC(=O)c3cc(F)ccc3F)ccc12
InChIInChI=1S/C17H11F2NO3/c1-9-6-16(21)23-15-8-11(3-4-12(9)15)20-17(22)13-7-10(18)2-5-14(13)19/h2-8H,1H3,(H,20,22)
InChIKeySHVOZCUBAOUQPO-UHFFFAOYSA-N
MW315.28 g/mol
LogP3.63
Rot. Bonds2

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

2,5-difluoro-N-(4-methyl-2-oxochromen-7-yl)benzamide (PubChem CID 4598002) has the molecular formula C17H11F2NO3 and a molecular weight of 315.28 g/mol. Its IUPAC name is 2,5-difluoro-N-(4-methyl-2-oxochromen-7-yl)benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-(4-methyl-2-oxochromen-7-yl)benzamide
PubChem CID4598002
Molecular FormulaC17H11F2NO3
Molecular Weight315.28 g/mol
Exact Mass315.07
IUPAC Name2,5-difluoro-N-(4-methyl-2-oxochromen-7-yl)benzamide
SMILESCc1cc(=O)oc2cc(NC(=O)c3cc(F)ccc3F)ccc12
InChIInChI=1S/C17H11F2NO3/c1-9-6-16(21)23-15-8-11(3-4-12(9)15)20-17(22)13-7-10(18)2-5-14(13)19/h2-8H,1H3,(H,20,22)
InChIKeySHVOZCUBAOUQPO-UHFFFAOYSA-N
XLogP3.63
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(4-methyl-2-oxochromen-7-yl)benzamide?
The IUPAC name of 2,5-difluoro-N-(4-methyl-2-oxochromen-7-yl)benzamide (CID 4598002) is 2,5-difluoro-N-(4-methyl-2-oxochromen-7-yl)benzamide.
What is the SMILES notation for 2,5-difluoro-N-(4-methyl-2-oxochromen-7-yl)benzamide?
The canonical SMILES for 2,5-difluoro-N-(4-methyl-2-oxochromen-7-yl)benzamide is Cc1cc(=O)oc2cc(NC(=O)c3cc(F)ccc3F)ccc12.
What is the InChIKey of 2,5-difluoro-N-(4-methyl-2-oxochromen-7-yl)benzamide?
The InChIKey is SHVOZCUBAOUQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO3/c1-9-6-16(21)23-15-8-11(3-4-12(9)15)20-17(22)13-7-10(18)2-5-14(13)19/h2-8H,1H3,(H,20,22).
What are the key properties of 2,5-difluoro-N-(4-methyl-2-oxochromen-7-yl)benzamide?
2,5-difluoro-N-(4-methyl-2-oxochromen-7-yl)benzamide has a molecular weight of 315.28 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(4-methyl-2-oxochromen-7-yl)benzamide is sourced from PubChem (CID 4598002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).