2-fluoro-N-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide

C21H17FN6O3 — CID 648374

IUPAC2-fluoro-N-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
SMILESO=C(Cn1nnc(-c2ccccc2NC(=O)c2ccccc2F)n1)NCc1ccco1
InChIInChI=1S/C21H17FN6O3/c22-17-9-3-1-7-15(17)21(30)24-18-10-4-2-8-16(18)20-25-27-28(26-20)13-19(29)23-12-14-6-5-11-31-14/h1-11H,12-13H2,(H,23,29)(H,24,30)
InChIKeyRGBDDIPKSQOEEJ-UHFFFAOYSA-N
MW420.40 g/mol
LogP2.64
Rot. Bonds7

About 2-fluoro-N-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide

2-fluoro-N-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide (PubChem CID 648374) has the molecular formula C21H17FN6O3 and a molecular weight of 420.40 g/mol. Its IUPAC name is 2-fluoro-N-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
PubChem CID648374
Molecular FormulaC21H17FN6O3
Molecular Weight420.40 g/mol
Exact Mass420.13
IUPAC Name2-fluoro-N-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
SMILESO=C(Cn1nnc(-c2ccccc2NC(=O)c2ccccc2F)n1)NCc1ccco1
InChIInChI=1S/C21H17FN6O3/c22-17-9-3-1-7-15(17)21(30)24-18-10-4-2-8-16(18)20-25-27-28(26-20)13-19(29)23-12-14-6-5-11-31-14/h1-11H,12-13H2,(H,23,29)(H,24,30)
InChIKeyRGBDDIPKSQOEEJ-UHFFFAOYSA-N
XLogP2.64
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide (CID 648374) is 2-fluoro-N-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide is O=C(Cn1nnc(-c2ccccc2NC(=O)c2ccccc2F)n1)NCc1ccco1.
What is the InChIKey of 2-fluoro-N-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The InChIKey is RGBDDIPKSQOEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O3/c22-17-9-3-1-7-15(17)21(30)24-18-10-4-2-8-16(18)20-25-27-28(26-20)13-19(29)23-12-14-6-5-11-31-14/h1-11H,12-13H2,(H,23,29)(H,24,30).
What are the key properties of 2-fluoro-N-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
2-fluoro-N-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide has a molecular weight of 420.40 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 648374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).