3-bromo-5-chloro-N-methyl-N-(3-methylbutan-2-yl)benzamide

C13H17BrClNO — CID 103826716

IUPAC3-bromo-5-chloro-N-methyl-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)N(C)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H17BrClNO/c1-8(2)9(3)16(4)13(17)10-5-11(14)7-12(15)6-10/h5-9H,1-4H3
InChIKeyTWPDJGWMPHETHF-UHFFFAOYSA-N
MW318.64 g/mol
LogP4.22
Rot. Bonds3

About 3-bromo-5-chloro-N-methyl-N-(3-methylbutan-2-yl)benzamide

3-bromo-5-chloro-N-methyl-N-(3-methylbutan-2-yl)benzamide (PubChem CID 103826716) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-methyl-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-methyl-N-(3-methylbutan-2-yl)benzamide
PubChem CID103826716
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC Name3-bromo-5-chloro-N-methyl-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)N(C)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H17BrClNO/c1-8(2)9(3)16(4)13(17)10-5-11(14)7-12(15)6-10/h5-9H,1-4H3
InChIKeyTWPDJGWMPHETHF-UHFFFAOYSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 103827012
3-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide
CID 107952071
3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 103909933
3-bromo-5-chloro-N-ethyl-N-methylbenzamide
CID 103826781
3-bromo-5-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 107952079
3-bromo-5-chloro-N-(3-hydroxybutyl)-N-methylbenzamide
CID 103827200
1-(3-bromo-5-chlorophenyl)-2-methylpropan-1-one
CID 103942633
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-dione
CID 139745262
3-bromo-5-chloro-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 103827088
3-bromo-N-butyl-5-chloro-N-methylbenzamide
CID 110415930
3-bromo-5-chloro-N-pentyl-N-propan-2-ylbenzamide
CID 114019948
3-bromo-5-chloro-N-(cyanomethyl)-N-methylbenzamide
CID 103826873

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-methyl-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-methyl-N-(3-methylbutan-2-yl)benzamide (CID 103826716) is 3-bromo-5-chloro-N-methyl-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-methyl-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-methyl-N-(3-methylbutan-2-yl)benzamide is CC(C)C(C)N(C)C(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-methyl-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is TWPDJGWMPHETHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO/c1-8(2)9(3)16(4)13(17)10-5-11(14)7-12(15)6-10/h5-9H,1-4H3.
What are the key properties of 3-bromo-5-chloro-N-methyl-N-(3-methylbutan-2-yl)benzamide?
3-bromo-5-chloro-N-methyl-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 318.64 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-methyl-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 103826716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).