3-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide

C16H14FN3O — CID 23113775

IUPAC3-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ncccc12)c1cccc(F)c1
InChIInChI=1S/C16H14FN3O/c17-13-4-1-3-11(9-13)16(21)19-8-6-12-10-20-15-14(12)5-2-7-18-15/h1-5,7,9-10H,6,8H2,(H,18,20)(H,19,21)
InChIKeyYVRBMRYZTCRCIB-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.67
Rot. Bonds4

About 3-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide

3-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide (PubChem CID 23113775) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 3-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide
PubChem CID23113775
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name3-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ncccc12)c1cccc(F)c1
InChIInChI=1S/C16H14FN3O/c17-13-4-1-3-11(9-13)16(21)19-8-6-12-10-20-15-14(12)5-2-7-18-15/h1-5,7,9-10H,6,8H2,(H,18,20)(H,19,21)
InChIKeyYVRBMRYZTCRCIB-UHFFFAOYSA-N
XLogP2.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide (CID 23113775) is 3-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide is O=C(NCCc1c[nH]c2ncccc12)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide?
The InChIKey is YVRBMRYZTCRCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-13-4-1-3-11(9-13)16(21)19-8-6-12-10-20-15-14(12)5-2-7-18-15/h1-5,7,9-10H,6,8H2,(H,18,20)(H,19,21).
What are the key properties of 3-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide?
3-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide has a molecular weight of 283.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide is sourced from PubChem (CID 23113775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).