4-cyano-2-fluoro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide

C17H12F2N4O2 — CID 59618545

IUPAC4-cyano-2-fluoro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccnc(NC(=O)[C@H]3C[C@H]3F)c2)c(F)c1
InChIInChI=1S/C17H12F2N4O2/c18-13-5-9(8-20)1-2-11(13)16(24)22-10-3-4-21-15(6-10)23-17(25)12-7-14(12)19/h1-6,12,14H,7H2,(H2,21,22,23,24,25)/t12-,14+/m0/s1
InChIKeyIHPGZYLUUXUYQE-GXTWGEPZSA-N
MW342.31 g/mol
LogP2.64
Rot. Bonds4

About 4-cyano-2-fluoro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide

4-cyano-2-fluoro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide (PubChem CID 59618545) has the molecular formula C17H12F2N4O2 and a molecular weight of 342.31 g/mol. Its IUPAC name is 4-cyano-2-fluoro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide.

Molecular Properties

Compound Name4-cyano-2-fluoro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
PubChem CID59618545
Molecular FormulaC17H12F2N4O2
Molecular Weight342.31 g/mol
Exact Mass342.09
IUPAC Name4-cyano-2-fluoro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccnc(NC(=O)[C@H]3C[C@H]3F)c2)c(F)c1
InChIInChI=1S/C17H12F2N4O2/c18-13-5-9(8-20)1-2-11(13)16(24)22-10-3-4-21-15(6-10)23-17(25)12-7-14(12)19/h1-6,12,14H,7H2,(H2,21,22,23,24,25)/t12-,14+/m0/s1
InChIKeyIHPGZYLUUXUYQE-GXTWGEPZSA-N
XLogP2.64
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-fluoro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide?
The IUPAC name of 4-cyano-2-fluoro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide (CID 59618545) is 4-cyano-2-fluoro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide.
What is the SMILES notation for 4-cyano-2-fluoro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide?
The canonical SMILES for 4-cyano-2-fluoro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide is N#Cc1ccc(C(=O)Nc2ccnc(NC(=O)[C@H]3C[C@H]3F)c2)c(F)c1.
What is the InChIKey of 4-cyano-2-fluoro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide?
The InChIKey is IHPGZYLUUXUYQE-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H12F2N4O2/c18-13-5-9(8-20)1-2-11(13)16(24)22-10-3-4-21-15(6-10)23-17(25)12-7-14(12)19/h1-6,12,14H,7H2,(H2,21,22,23,24,25)/t12-,14+/m0/s1.
What are the key properties of 4-cyano-2-fluoro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide?
4-cyano-2-fluoro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide has a molecular weight of 342.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-fluoro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide is sourced from PubChem (CID 59618545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).