2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide

C20H20BrFN4O2 — CID 78816852

IUPAC2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)Cc1nnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C20H20BrFN4O2/c1-2-26(12-18(27)23-11-14-3-9-17(22)10-4-14)13-19-24-25-20(28-19)15-5-7-16(21)8-6-15/h3-10H,2,11-13H2,1H3,(H,23,27)
InChIKeyFTPXURHNPQHHEQ-UHFFFAOYSA-N
MW447.31 g/mol
LogP3.78
Rot. Bonds8

About 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide

2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 78816852) has the molecular formula C20H20BrFN4O2 and a molecular weight of 447.31 g/mol. Its IUPAC name is 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID78816852
Molecular FormulaC20H20BrFN4O2
Molecular Weight447.31 g/mol
Exact Mass446.08
IUPAC Name2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)Cc1nnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C20H20BrFN4O2/c1-2-26(12-18(27)23-11-14-3-9-17(22)10-4-14)13-19-24-25-20(28-19)15-5-7-16(21)8-6-15/h3-10H,2,11-13H2,1H3,(H,23,27)
InChIKeyFTPXURHNPQHHEQ-UHFFFAOYSA-N
XLogP3.78
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.31
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[[2-(4-bromoanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201213
1,1-diethyl-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]urea
CID 110319164
3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]propan-1-ol
CID 115669583
2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 26511026
N-benzyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110333973
2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 27821749
ethyl N-[2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetyl]carbamate
CID 8799683
2-ethyl-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]butanamide
CID 110319098
2-[(4-bromophenyl)methyl-ethylamino]-N-ethylacetamide
CID 54939808
2-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 31371490
5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 27821732
N-ethyl-2-[ethyl-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide
CID 8682611

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide (CID 78816852) is 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(F)cc1)Cc1nnc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is FTPXURHNPQHHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrFN4O2/c1-2-26(12-18(27)23-11-14-3-9-17(22)10-4-14)13-19-24-25-20(28-19)15-5-7-16(21)8-6-15/h3-10H,2,11-13H2,1H3,(H,23,27).
What are the key properties of 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 447.31 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 78816852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).