2-(4-bromobenzoyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide

C21H23BrN2O3 — CID 36943976

IUPAC2-(4-bromobenzoyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1ccccc1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C21H23BrN2O3/c1-4-24(5-2)19(25)14-23(3)21(27)18-9-7-6-8-17(18)20(26)15-10-12-16(22)13-11-15/h6-13H,4-5,14H2,1-3H3
InChIKeyFPRKKEHNYRLYSH-UHFFFAOYSA-N
MW431.33 g/mol
LogP3.62
Rot. Bonds7

About 2-(4-bromobenzoyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide

2-(4-bromobenzoyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 36943976) has the molecular formula C21H23BrN2O3 and a molecular weight of 431.33 g/mol. Its IUPAC name is 2-(4-bromobenzoyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-(4-bromobenzoyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
PubChem CID36943976
Molecular FormulaC21H23BrN2O3
Molecular Weight431.33 g/mol
Exact Mass430.09
IUPAC Name2-(4-bromobenzoyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1ccccc1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C21H23BrN2O3/c1-4-24(5-2)19(25)14-23(3)21(27)18-9-7-6-8-17(18)20(26)15-10-12-16(22)13-11-15/h6-13H,4-5,14H2,1-3H3
InChIKeyFPRKKEHNYRLYSH-UHFFFAOYSA-N
XLogP3.62
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.33
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid
CID 60662164
N-benzyl-2-(4-bromobenzoyl)-N-methylbenzamide
CID 25465829
5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
CID 65309366
N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60668984
5-bromo-N-[2-(diethylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide
CID 55406882
2-(4-bromobenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 36835375
ethyl 2-[[2-(4-fluorobenzoyl)benzoyl]-methylamino]acetate
CID 21463059
4-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 115769521
2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N,N-diethylacetamide
CID 78812720
2-(4-bromobenzoyl)-N-cyclohexyl-N-methylbenzamide
CID 112811303
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbenzamide
CID 78816760
ethyl 2-[(2-bromobenzoyl)-methylamino]acetate
CID 54982790

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromobenzoyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 2-(4-bromobenzoyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide (CID 36943976) is 2-(4-bromobenzoyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 2-(4-bromobenzoyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 2-(4-bromobenzoyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide is CCN(CC)C(=O)CN(C)C(=O)c1ccccc1C(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromobenzoyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is FPRKKEHNYRLYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O3/c1-4-24(5-2)19(25)14-23(3)21(27)18-9-7-6-8-17(18)20(26)15-10-12-16(22)13-11-15/h6-13H,4-5,14H2,1-3H3.
What are the key properties of 2-(4-bromobenzoyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide?
2-(4-bromobenzoyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 431.33 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromobenzoyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 36943976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).