5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,2-dimethylbenzamide

C15H21BrN2O2 — CID 65309366

IUPAC5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1cc(Br)ccc1C
InChIInChI=1S/C15H21BrN2O2/c1-5-18(6-2)14(19)10-17(4)15(20)13-9-12(16)8-7-11(13)3/h7-9H,5-6,10H2,1-4H3
InChIKeyWGRWGZNTMOHLKM-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.70
Rot. Bonds5

About 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,2-dimethylbenzamide

5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,2-dimethylbenzamide (PubChem CID 65309366) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
PubChem CID65309366
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1cc(Br)ccc1C
InChIInChI=1S/C15H21BrN2O2/c1-5-18(6-2)14(19)10-17(4)15(20)13-9-12(16)8-7-11(13)3/h7-9H,5-6,10H2,1-4H3
InChIKeyWGRWGZNTMOHLKM-UHFFFAOYSA-N
XLogP2.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[2-(diethylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide
CID 55406882
N-(2-amino-2-oxoethyl)-5-bromo-N,2-dimethylbenzamide
CID 65307029
5-bromo-N-butyl-N,2-dimethylbenzamide
CID 65306915
5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 39947725
4-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 115769521
2-(4-bromobenzoyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 36943976
5-bromo-N-(5-bromopentyl)-N,2-dimethylbenzamide
CID 107206197
5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199883
5-bromo-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 65311466
5-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80709255
2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid
CID 60662164
5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
CID 65309509

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,2-dimethylbenzamide?
The IUPAC name of 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,2-dimethylbenzamide (CID 65309366) is 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,2-dimethylbenzamide.
What is the SMILES notation for 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,2-dimethylbenzamide?
The canonical SMILES for 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,2-dimethylbenzamide is CCN(CC)C(=O)CN(C)C(=O)c1cc(Br)ccc1C.
What is the InChIKey of 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,2-dimethylbenzamide?
The InChIKey is WGRWGZNTMOHLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-5-18(6-2)14(19)10-17(4)15(20)13-9-12(16)8-7-11(13)3/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,2-dimethylbenzamide?
5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,2-dimethylbenzamide has a molecular weight of 341.25 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 65309366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).