N-(4-bromo-2-methylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide

C19H18BrClN4O2 — CID 31378293

IUPACN-(4-bromo-2-methylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)Cc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H18BrClN4O2/c1-12-9-14(20)5-8-16(12)22-17(26)10-25(2)11-18-23-24-19(27-18)13-3-6-15(21)7-4-13/h3-9H,10-11H2,1-2H3,(H,22,26)
InChIKeyKJRSEDPJTNKLCJ-UHFFFAOYSA-N
MW449.74 g/mol
LogP4.53
Rot. Bonds6

About N-(4-bromo-2-methylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide

N-(4-bromo-2-methylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide (PubChem CID 31378293) has the molecular formula C19H18BrClN4O2 and a molecular weight of 449.74 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
PubChem CID31378293
Molecular FormulaC19H18BrClN4O2
Molecular Weight449.74 g/mol
Exact Mass448.03
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)Cc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H18BrClN4O2/c1-12-9-14(20)5-8-16(12)22-17(26)10-25(2)11-18-23-24-19(27-18)13-3-6-15(21)7-4-13/h3-9H,10-11H2,1-2H3,(H,22,26)
InChIKeyKJRSEDPJTNKLCJ-UHFFFAOYSA-N
XLogP4.53
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.74
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-bromo-2-methylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide with MolForge

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 8790419
N-(4-bromo-2-methylphenyl)-2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
CID 26712920
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 51261076
N-(4-bromo-2-methylphenyl)-2-[methyl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]acetamide
CID 55387396
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 9303229
methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoate
CID 62013028
N-(4-bromo-2-methylphenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 26685438
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 31378015
N-(4-bromo-2-methylphenyl)-2-[1H-imidazol-5-ylmethyl(methyl)amino]acetamide
CID 122157794
2-[benzyl(methyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 24854250
N'-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N'-methylethane-1,2-diamine
CID 62687008
N-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9303478

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide (CID 31378293) is N-(4-bromo-2-methylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide is Cc1cc(Br)ccc1NC(=O)CN(C)Cc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide?
The InChIKey is KJRSEDPJTNKLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClN4O2/c1-12-9-14(20)5-8-16(12)22-17(26)10-25(2)11-18-23-24-19(27-18)13-3-6-15(21)7-4-13/h3-9H,10-11H2,1-2H3,(H,22,26).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide?
N-(4-bromo-2-methylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide has a molecular weight of 449.74 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 31378293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).