3-[(3,4-difluorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide

C21H12F3N3O3 — CID 16940334

IUPAC3-[(3,4-difluorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccccc2F)oc2cccnc12)c1ccc(F)c(F)c1
InChIInChI=1S/C21H12F3N3O3/c22-12-8-7-11(10-14(12)24)20(28)27-18-17-16(6-3-9-25-17)30-19(18)21(29)26-15-5-2-1-4-13(15)23/h1-10H,(H,26,29)(H,27,28)
InChIKeyRBEMQQDDNKSNNG-UHFFFAOYSA-N
MW411.34 g/mol
LogP4.75
Rot. Bonds4

About 3-[(3,4-difluorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide

3-[(3,4-difluorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide (PubChem CID 16940334) has the molecular formula C21H12F3N3O3 and a molecular weight of 411.34 g/mol. Its IUPAC name is 3-[(3,4-difluorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(3,4-difluorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide
PubChem CID16940334
Molecular FormulaC21H12F3N3O3
Molecular Weight411.34 g/mol
Exact Mass411.08
IUPAC Name3-[(3,4-difluorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccccc2F)oc2cccnc12)c1ccc(F)c(F)c1
InChIInChI=1S/C21H12F3N3O3/c22-12-8-7-11(10-14(12)24)20(28)27-18-17-16(6-3-9-25-17)30-19(18)21(29)26-15-5-2-1-4-13(15)23/h1-10H,(H,26,29)(H,27,28)
InChIKeyRBEMQQDDNKSNNG-UHFFFAOYSA-N
XLogP4.75
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.34
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 3-[(3,4-difluorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide (CID 16940334) is 3-[(3,4-difluorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[(3,4-difluorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[(3,4-difluorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide is O=C(Nc1c(C(=O)Nc2ccccc2F)oc2cccnc12)c1ccc(F)c(F)c1.
What is the InChIKey of 3-[(3,4-difluorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide?
The InChIKey is RBEMQQDDNKSNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F3N3O3/c22-12-8-7-11(10-14(12)24)20(28)27-18-17-16(6-3-9-25-17)30-19(18)21(29)26-15-5-2-1-4-13(15)23/h1-10H,(H,26,29)(H,27,28).
What are the key properties of 3-[(3,4-difluorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide?
3-[(3,4-difluorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide has a molecular weight of 411.34 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 16940334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).