N-(3-chloro-4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide

C22H21ClF2N6O3 — CID 3180823

IUPACN-(3-chloro-4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESO=C(CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc(F)c(Cl)c1)NCC1CCCO1
InChIInChI=1S/C22H21ClF2N6O3/c23-18-10-16(7-8-19(18)25)30(12-20(32)26-11-17-2-1-9-34-17)21(33)13-31-28-22(27-29-31)14-3-5-15(24)6-4-14/h3-8,10,17H,1-2,9,11-13H2,(H,26,32)
InChIKeyJGAFDFGIQRUEFT-UHFFFAOYSA-N
MW490.90 g/mol
LogP2.60
Rot. Bonds8

About N-(3-chloro-4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide

N-(3-chloro-4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (PubChem CID 3180823) has the molecular formula C22H21ClF2N6O3 and a molecular weight of 490.90 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
PubChem CID3180823
Molecular FormulaC22H21ClF2N6O3
Molecular Weight490.90 g/mol
Exact Mass490.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESO=C(CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc(F)c(Cl)c1)NCC1CCCO1
InChIInChI=1S/C22H21ClF2N6O3/c23-18-10-16(7-8-19(18)25)30(12-20(32)26-11-17-2-1-9-34-17)21(33)13-31-28-22(27-29-31)14-3-5-15(24)6-4-14/h3-8,10,17H,1-2,9,11-13H2,(H,26,32)
InChIKeyJGAFDFGIQRUEFT-UHFFFAOYSA-N
XLogP2.60
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.90
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-chloro-4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (CID 3180823) is N-(3-chloro-4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is O=C(CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc(F)c(Cl)c1)NCC1CCCO1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The InChIKey is JGAFDFGIQRUEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF2N6O3/c23-18-10-16(7-8-19(18)25)30(12-20(32)26-11-17-2-1-9-34-17)21(33)13-31-28-22(27-29-31)14-3-5-15(24)6-4-14/h3-8,10,17H,1-2,9,11-13H2,(H,26,32).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide has a molecular weight of 490.90 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 3180823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).