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

C21H13ClFN3O3 — CID 16940328

IUPAC3-[(4-chlorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccccc2F)oc2cccnc12)c1ccc(Cl)cc1
InChIInChI=1S/C21H13ClFN3O3/c22-13-9-7-12(8-10-13)20(27)26-18-17-16(6-3-11-24-17)29-19(18)21(28)25-15-5-2-1-4-14(15)23/h1-11H,(H,25,28)(H,26,27)
InChIKeyQLRCFTISMYKBKR-UHFFFAOYSA-N
MW409.80 g/mol
LogP5.12
Rot. Bonds4

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

3-[(4-chlorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide (PubChem CID 16940328) has the molecular formula C21H13ClFN3O3 and a molecular weight of 409.80 g/mol. Its IUPAC name is 3-[(4-chlorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(4-chlorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide
PubChem CID16940328
Molecular FormulaC21H13ClFN3O3
Molecular Weight409.80 g/mol
Exact Mass409.06
IUPAC Name3-[(4-chlorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccccc2F)oc2cccnc12)c1ccc(Cl)cc1
InChIInChI=1S/C21H13ClFN3O3/c22-13-9-7-12(8-10-13)20(27)26-18-17-16(6-3-11-24-17)29-19(18)21(28)25-15-5-2-1-4-14(15)23/h1-11H,(H,25,28)(H,26,27)
InChIKeyQLRCFTISMYKBKR-UHFFFAOYSA-N
XLogP5.12
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.80
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 3-[(4-chlorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide (CID 16940328) is 3-[(4-chlorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[(4-chlorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[(4-chlorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide is O=C(Nc1c(C(=O)Nc2ccccc2F)oc2cccnc12)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide?
The InChIKey is QLRCFTISMYKBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFN3O3/c22-13-9-7-12(8-10-13)20(27)26-18-17-16(6-3-11-24-17)29-19(18)21(28)25-15-5-2-1-4-14(15)23/h1-11H,(H,25,28)(H,26,27).
What are the key properties of 3-[(4-chlorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide?
3-[(4-chlorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide has a molecular weight of 409.80 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorobenzoyl)amino]-N-(2-fluorophenyl)furo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 16940328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).