2,4-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide

C13H16Br2N2O2 — CID 103882596

IUPAC2,4-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)NC)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H16Br2N2O2/c1-3-6-17(8-12(18)16-2)13(19)10-5-4-9(14)7-11(10)15/h4-5,7H,3,6,8H2,1-2H3,(H,16,18)
InChIKeyJCIIXRRCHJCCHB-UHFFFAOYSA-N
MW392.09 g/mol
LogP2.81
Rot. Bonds5

About 2,4-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide

2,4-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide (PubChem CID 103882596) has the molecular formula C13H16Br2N2O2 and a molecular weight of 392.09 g/mol. Its IUPAC name is 2,4-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
PubChem CID103882596
Molecular FormulaC13H16Br2N2O2
Molecular Weight392.09 g/mol
Exact Mass389.96
IUPAC Name2,4-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)NC)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H16Br2N2O2/c1-3-6-17(8-12(18)16-2)13(19)10-5-4-9(14)7-11(10)15/h4-5,7H,3,6,8H2,1-2H3,(H,16,18)
InChIKeyJCIIXRRCHJCCHB-UHFFFAOYSA-N
XLogP2.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.09
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 61138545
4,5-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylthiophene-2-carboxamide
CID 78968180
2-fluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 61046623
3-bromo-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 61040728
2,4-dibromo-N-propan-2-yl-N-propylbenzamide
CID 107951573
2-[(2-amino-4-bromobenzoyl)-propylamino]acetic acid
CID 79721744
2,4-dibromo-N,N-bis(2-methylpropyl)benzamide
CID 107951816
2,5-dibromo-N-(2-bromoethyl)-N-propylbenzamide
CID 114375647
5-bromo-2-hydroxy-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 112790012
2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 107940286
4-bromo-2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]benzoic acid
CID 61449996
ethyl 2-[(4-bromo-2-chlorobenzoyl)-propylamino]acetate
CID 61008661

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide?
The IUPAC name of 2,4-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide (CID 103882596) is 2,4-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide.
What is the SMILES notation for 2,4-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide?
The canonical SMILES for 2,4-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide is CCCN(CC(=O)NC)C(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide?
The InChIKey is JCIIXRRCHJCCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2N2O2/c1-3-6-17(8-12(18)16-2)13(19)10-5-4-9(14)7-11(10)15/h4-5,7H,3,6,8H2,1-2H3,(H,16,18).
What are the key properties of 2,4-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide?
2,4-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide has a molecular weight of 392.09 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide is sourced from PubChem (CID 103882596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).