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

C14H17BrN4O2 — CID 8790419

IUPACN-(4-bromo-2-methylphenyl)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
SMILESCc1nnc(CN(C)CC(=O)Nc2ccc(Br)cc2C)o1
InChIInChI=1S/C14H17BrN4O2/c1-9-6-11(15)4-5-12(9)16-13(20)7-19(3)8-14-18-17-10(2)21-14/h4-6H,7-8H2,1-3H3,(H,16,20)
InChIKeyFJIVFAZNKXGZBK-UHFFFAOYSA-N
MW353.22 g/mol
LogP2.52
Rot. Bonds5

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

N-(4-bromo-2-methylphenyl)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide (PubChem CID 8790419) has the molecular formula C14H17BrN4O2 and a molecular weight of 353.22 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
PubChem CID8790419
Molecular FormulaC14H17BrN4O2
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
SMILESCc1nnc(CN(C)CC(=O)Nc2ccc(Br)cc2C)o1
InChIInChI=1S/C14H17BrN4O2/c1-9-6-11(15)4-5-12(9)16-13(20)7-19(3)8-14-18-17-10(2)21-14/h4-6H,7-8H2,1-3H3,(H,16,20)
InChIKeyFJIVFAZNKXGZBK-UHFFFAOYSA-N
XLogP2.52
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
CID 31378293
N-(4-bromo-2-methylphenyl)-2-[1H-imidazol-5-ylmethyl(methyl)amino]acetamide
CID 122157794
4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 31378107
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 31378015
N-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9303478
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 9303536
2-[(3-bromophenyl)methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 171702396
methyl 3-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-4-methylbenzoate
CID 32701380
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
N-(4-bromo-2-methylphenyl)-2-[[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylamino]acetamide
CID 46802089
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62821107
3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
CID 109020660

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide (CID 8790419) is N-(4-bromo-2-methylphenyl)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide is Cc1nnc(CN(C)CC(=O)Nc2ccc(Br)cc2C)o1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?
The InChIKey is FJIVFAZNKXGZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2/c1-9-6-11(15)4-5-12(9)16-13(20)7-19(3)8-14-18-17-10(2)21-14/h4-6H,7-8H2,1-3H3,(H,16,20).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?
N-(4-bromo-2-methylphenyl)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide has a molecular weight of 353.22 g/mol, XLogP of 2.52, 5 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-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 8790419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).