N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide

C23H20FN5O2 — CID 41182466

IUPACN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C23H20FN5O2/c24-20-7-2-1-6-19(20)21-12-10-18(31-21)11-13-22(30)25-16-5-3-4-15(14-16)23-26-27-28-29(23)17-8-9-17/h1-7,10,12,14,17H,8-9,11,13H2,(H,25,30)
InChIKeyIVEWEOKJSKUIRS-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.65
Rot. Bonds7

About N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide (PubChem CID 41182466) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
PubChem CID41182466
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C23H20FN5O2/c24-20-7-2-1-6-19(20)21-12-10-18(31-21)11-13-22(30)25-16-5-3-4-15(14-16)23-26-27-28-29(23)17-8-9-17/h1-7,10,12,14,17H,8-9,11,13H2,(H,25,30)
InChIKeyIVEWEOKJSKUIRS-UHFFFAOYSA-N
XLogP4.65
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
The IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide (CID 41182466) is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide.
What is the SMILES notation for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
The canonical SMILES for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide is O=C(CCc1ccc(-c2ccccc2F)o1)Nc1cccc(-c2nnnn2C2CC2)c1.
What is the InChIKey of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
The InChIKey is IVEWEOKJSKUIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c24-20-7-2-1-6-19(20)21-12-10-18(31-21)11-13-22(30)25-16-5-3-4-15(14-16)23-26-27-28-29(23)17-8-9-17/h1-7,10,12,14,17H,8-9,11,13H2,(H,25,30).
What are the key properties of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide has a molecular weight of 417.44 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide is sourced from PubChem (CID 41182466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).