3,5-dibromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide

C14H18Br2N2O2 — CID 107980558

IUPAC3,5-dibromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
SMILESCC(C)CNC(=O)CN(C)C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H18Br2N2O2/c1-9(2)7-17-13(19)8-18(3)14(20)10-4-11(15)6-12(16)5-10/h4-6,9H,7-8H2,1-3H3,(H,17,19)
InChIKeyCYSAWWGPXBELLJ-UHFFFAOYSA-N
MW406.12 g/mol
LogP3.06
Rot. Bonds5

About 3,5-dibromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide

3,5-dibromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide (PubChem CID 107980558) has the molecular formula C14H18Br2N2O2 and a molecular weight of 406.12 g/mol. Its IUPAC name is 3,5-dibromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
PubChem CID107980558
Molecular FormulaC14H18Br2N2O2
Molecular Weight406.12 g/mol
Exact Mass403.97
IUPAC Name3,5-dibromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
SMILESCC(C)CNC(=O)CN(C)C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H18Br2N2O2/c1-9(2)7-17-13(19)8-18(3)14(20)10-4-11(15)6-12(16)5-10/h4-6,9H,7-8H2,1-3H3,(H,17,19)
InChIKeyCYSAWWGPXBELLJ-UHFFFAOYSA-N
XLogP3.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.12
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 114037773
3,5-dibromo-N-(2-chloropropyl)-N-methylbenzamide
CID 107974799
5-bromo-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 47339435
2-(dimethylamino)-N-(2-methylpropyl)acetamide
CID 20735570
2-(4-bromo-2-cyano-N-methylanilino)-N-(2-methylpropyl)acetamide
CID 114890848
2-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 112685371
3-bromo-5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
CID 113286150
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
CID 27209258
N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-1,2,4-triazole-5-carboxamide
CID 113409418
(2S)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-phenylacetamide
CID 104898372
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 9303536
3,5-dibromo-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 103908249

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3,5-dibromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide (CID 107980558) is 3,5-dibromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3,5-dibromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide is CC(C)CNC(=O)CN(C)C(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide?
The InChIKey is CYSAWWGPXBELLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O2/c1-9(2)7-17-13(19)8-18(3)14(20)10-4-11(15)6-12(16)5-10/h4-6,9H,7-8H2,1-3H3,(H,17,19).
What are the key properties of 3,5-dibromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide?
3,5-dibromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide has a molecular weight of 406.12 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 107980558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).