3-chloro-4-fluoro-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)benzamide

C14H9ClFN3O — CID 90646732

IUPAC3-chloro-4-fluoro-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)benzamide
SMILESO=C(Nc1cc2cc[nH]c2cn1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H9ClFN3O/c15-10-5-9(1-2-11(10)16)14(20)19-13-6-8-3-4-17-12(8)7-18-13/h1-7,17H,(H,18,19,20)
InChIKeyXPSVDJCQOLKLRJ-UHFFFAOYSA-N
MW289.70 g/mol
LogP3.61
Rot. Bonds2

About 3-chloro-4-fluoro-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)benzamide

3-chloro-4-fluoro-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)benzamide (PubChem CID 90646732) has the molecular formula C14H9ClFN3O and a molecular weight of 289.70 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)benzamide
PubChem CID90646732
Molecular FormulaC14H9ClFN3O
Molecular Weight289.70 g/mol
Exact Mass289.04
IUPAC Name3-chloro-4-fluoro-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)benzamide
SMILESO=C(Nc1cc2cc[nH]c2cn1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H9ClFN3O/c15-10-5-9(1-2-11(10)16)14(20)19-13-6-8-3-4-17-12(8)7-18-13/h1-7,17H,(H,18,19,20)
InChIKeyXPSVDJCQOLKLRJ-UHFFFAOYSA-N
XLogP3.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)benzamide (CID 90646732) is 3-chloro-4-fluoro-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)benzamide is O=C(Nc1cc2cc[nH]c2cn1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)benzamide?
The InChIKey is XPSVDJCQOLKLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O/c15-10-5-9(1-2-11(10)16)14(20)19-13-6-8-3-4-17-12(8)7-18-13/h1-7,17H,(H,18,19,20).
What are the key properties of 3-chloro-4-fluoro-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)benzamide?
3-chloro-4-fluoro-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)benzamide has a molecular weight of 289.70 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)benzamide is sourced from PubChem (CID 90646732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).