3-bromo-4-chloro-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide

C15H17BrClN3O2 — CID 110627464

IUPAC3-bromo-4-chloro-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide
SMILESCc1nnc(C(CC(C)C)NC(=O)c2ccc(Cl)c(Br)c2)o1
InChIInChI=1S/C15H17BrClN3O2/c1-8(2)6-13(15-20-19-9(3)22-15)18-14(21)10-4-5-12(17)11(16)7-10/h4-5,7-8,13H,6H2,1-3H3,(H,18,21)
InChIKeyXSEXDVCQRUMZIS-UHFFFAOYSA-N
MW386.68 g/mol
LogP4.31
Rot. Bonds5

About 3-bromo-4-chloro-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide

3-bromo-4-chloro-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide (PubChem CID 110627464) has the molecular formula C15H17BrClN3O2 and a molecular weight of 386.68 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide
PubChem CID110627464
Molecular FormulaC15H17BrClN3O2
Molecular Weight386.68 g/mol
Exact Mass385.02
IUPAC Name3-bromo-4-chloro-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide
SMILESCc1nnc(C(CC(C)C)NC(=O)c2ccc(Cl)c(Br)c2)o1
InChIInChI=1S/C15H17BrClN3O2/c1-8(2)6-13(15-20-19-9(3)22-15)18-14(21)10-4-5-12(17)11(16)7-10/h4-5,7-8,13H,6H2,1-3H3,(H,18,21)
InChIKeyXSEXDVCQRUMZIS-UHFFFAOYSA-N
XLogP4.31
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.68
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-4-chloro-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide 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

3,4-dimethoxy-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide
CID 110288314
(2S)-2-[(3-bromo-4-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 114025710
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide
CID 114024777
3-bromo-4-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 103841687
3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide
CID 107993829
3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
CID 103842962
3-bromo-4-chloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103842950
3-bromo-4-chloro-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104854902
3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 107999622
3-bromo-4-chloro-N-(5-chloropentan-2-yl)benzamide
CID 107993905
3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59897100
N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]-3-bromo-4-chlorobenzamide
CID 107992517

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide?
The IUPAC name of 3-bromo-4-chloro-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide (CID 110627464) is 3-bromo-4-chloro-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide is Cc1nnc(C(CC(C)C)NC(=O)c2ccc(Cl)c(Br)c2)o1.
What is the InChIKey of 3-bromo-4-chloro-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide?
The InChIKey is XSEXDVCQRUMZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3O2/c1-8(2)6-13(15-20-19-9(3)22-15)18-14(21)10-4-5-12(17)11(16)7-10/h4-5,7-8,13H,6H2,1-3H3,(H,18,21).
What are the key properties of 3-bromo-4-chloro-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide?
3-bromo-4-chloro-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide has a molecular weight of 386.68 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide is sourced from PubChem (CID 110627464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).