3-bromo-5-chloro-N-methyl-2-(methylamino)-N-propan-2-ylbenzamide

C12H16BrClN2O — CID 155666914

IUPAC3-bromo-5-chloro-N-methyl-2-(methylamino)-N-propan-2-ylbenzamide
SMILESCNc1c(Br)cc(Cl)cc1C(=O)N(C)C(C)C
InChIInChI=1S/C12H16BrClN2O/c1-7(2)16(4)12(17)9-5-8(14)6-10(13)11(9)15-3/h5-7,15H,1-4H3
InChIKeyRIORCSOMOWVWSJ-UHFFFAOYSA-N
MW319.63 g/mol
LogP3.62
Rot. Bonds3

About 3-bromo-5-chloro-N-methyl-2-(methylamino)-N-propan-2-ylbenzamide

3-bromo-5-chloro-N-methyl-2-(methylamino)-N-propan-2-ylbenzamide (PubChem CID 155666914) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-methyl-2-(methylamino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-methyl-2-(methylamino)-N-propan-2-ylbenzamide
PubChem CID155666914
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC Name3-bromo-5-chloro-N-methyl-2-(methylamino)-N-propan-2-ylbenzamide
SMILESCNc1c(Br)cc(Cl)cc1C(=O)N(C)C(C)C
InChIInChI=1S/C12H16BrClN2O/c1-7(2)16(4)12(17)9-5-8(14)6-10(13)11(9)15-3/h5-7,15H,1-4H3
InChIKeyRIORCSOMOWVWSJ-UHFFFAOYSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-methyl-2-(methylamino)-N-propan-2-ylbenzamide?
The IUPAC name of 3-bromo-5-chloro-N-methyl-2-(methylamino)-N-propan-2-ylbenzamide (CID 155666914) is 3-bromo-5-chloro-N-methyl-2-(methylamino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-methyl-2-(methylamino)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-bromo-5-chloro-N-methyl-2-(methylamino)-N-propan-2-ylbenzamide is CNc1c(Br)cc(Cl)cc1C(=O)N(C)C(C)C.
What is the InChIKey of 3-bromo-5-chloro-N-methyl-2-(methylamino)-N-propan-2-ylbenzamide?
The InChIKey is RIORCSOMOWVWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O/c1-7(2)16(4)12(17)9-5-8(14)6-10(13)11(9)15-3/h5-7,15H,1-4H3.
What are the key properties of 3-bromo-5-chloro-N-methyl-2-(methylamino)-N-propan-2-ylbenzamide?
3-bromo-5-chloro-N-methyl-2-(methylamino)-N-propan-2-ylbenzamide has a molecular weight of 319.63 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-methyl-2-(methylamino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 155666914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).