4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]benzamide

C20H14ClFN4O2 — CID 86580516

IUPAC4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]benzamide
SMILESNC(=O)c1ccc(-c2nccc3c(Nc4ccc(F)c(Cl)c4)c(N)oc23)cc1
InChIInChI=1S/C20H14ClFN4O2/c21-14-9-12(5-6-15(14)22)26-17-13-7-8-25-16(18(13)28-20(17)24)10-1-3-11(4-2-10)19(23)27/h1-9,26H,24H2,(H2,23,27)
InChIKeyPZIOOGLTMJLKQE-UHFFFAOYSA-N
MW396.81 g/mol
LogP4.71
Rot. Bonds4

About 4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]benzamide

4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]benzamide (PubChem CID 86580516) has the molecular formula C20H14ClFN4O2 and a molecular weight of 396.81 g/mol. Its IUPAC name is 4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]benzamide.

Molecular Properties

Compound Name4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]benzamide
PubChem CID86580516
Molecular FormulaC20H14ClFN4O2
Molecular Weight396.81 g/mol
Exact Mass396.08
IUPAC Name4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]benzamide
SMILESNC(=O)c1ccc(-c2nccc3c(Nc4ccc(F)c(Cl)c4)c(N)oc23)cc1
InChIInChI=1S/C20H14ClFN4O2/c21-14-9-12(5-6-15(14)22)26-17-13-7-8-25-16(18(13)28-20(17)24)10-1-3-11(4-2-10)19(23)27/h1-9,26H,24H2,(H2,23,27)
InChIKeyPZIOOGLTMJLKQE-UHFFFAOYSA-N
XLogP4.71
TPSA107.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]benzamide?
The IUPAC name of 4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]benzamide (CID 86580516) is 4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]benzamide.
What is the SMILES notation for 4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]benzamide?
The canonical SMILES for 4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]benzamide is NC(=O)c1ccc(-c2nccc3c(Nc4ccc(F)c(Cl)c4)c(N)oc23)cc1.
What is the InChIKey of 4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]benzamide?
The InChIKey is PZIOOGLTMJLKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O2/c21-14-9-12(5-6-15(14)22)26-17-13-7-8-25-16(18(13)28-20(17)24)10-1-3-11(4-2-10)19(23)27/h1-9,26H,24H2,(H2,23,27).
What are the key properties of 4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]benzamide?
4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]benzamide has a molecular weight of 396.81 g/mol, XLogP of 4.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-3-(3-chloro-4-fluoroanilino)furo[2,3-c]pyridin-7-yl]benzamide is sourced from PubChem (CID 86580516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).