N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2H-tetrazol-5-yl)benzamide

C20H21FN6O — CID 74231281

IUPACN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2H-tetrazol-5-yl)benzamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCCC1)c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C20H21FN6O/c21-15-9-7-14(8-10-15)18(27-11-3-4-12-27)13-22-20(28)17-6-2-1-5-16(17)19-23-25-26-24-19/h1-2,5-10,18H,3-4,11-13H2,(H,22,28)(H,23,24,25,26)
InChIKeyNPEAIOKVEZCQCH-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.57
Rot. Bonds6

About N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2H-tetrazol-5-yl)benzamide

N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2H-tetrazol-5-yl)benzamide (PubChem CID 74231281) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2H-tetrazol-5-yl)benzamide
PubChem CID74231281
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC NameN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2H-tetrazol-5-yl)benzamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCCC1)c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C20H21FN6O/c21-15-9-7-14(8-10-15)18(27-11-3-4-12-27)13-22-20(28)17-6-2-1-5-16(17)19-23-25-26-24-19/h1-2,5-10,18H,3-4,11-13H2,(H,22,28)(H,23,24,25,26)
InChIKeyNPEAIOKVEZCQCH-UHFFFAOYSA-N
XLogP2.57
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2H-tetrazol-5-yl)benzamide (CID 74231281) is N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2H-tetrazol-5-yl)benzamide is O=C(NCC(c1ccc(F)cc1)N1CCCC1)c1ccccc1-c1nn[nH]n1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2H-tetrazol-5-yl)benzamide?
The InChIKey is NPEAIOKVEZCQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O/c21-15-9-7-14(8-10-15)18(27-11-3-4-12-27)13-22-20(28)17-6-2-1-5-16(17)19-23-25-26-24-19/h1-2,5-10,18H,3-4,11-13H2,(H,22,28)(H,23,24,25,26).
What are the key properties of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2H-tetrazol-5-yl)benzamide?
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2H-tetrazol-5-yl)benzamide has a molecular weight of 380.43 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 74231281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).