4-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylbenzamide

C15H21BrN2O2 — CID 115769521

IUPAC4-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylbenzamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C15H21BrN2O2/c1-5-18(6-2)14(19)10-17(4)15(20)12-7-8-13(16)11(3)9-12/h7-9H,5-6,10H2,1-4H3
InChIKeyXUCWOPGYDNQFCZ-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.70
Rot. Bonds5

About 4-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylbenzamide

4-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylbenzamide (PubChem CID 115769521) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 4-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylbenzamide
PubChem CID115769521
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name4-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylbenzamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C15H21BrN2O2/c1-5-18(6-2)14(19)10-17(4)15(20)12-7-8-13(16)11(3)9-12/h7-9H,5-6,10H2,1-4H3
InChIKeyXUCWOPGYDNQFCZ-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

4-bromo-N,N-diethyl-3-methylbenzamide
CID 18960573
ethyl 3-[(4-bromo-3-methylbenzoyl)-methylamino]propanoate
CID 112705954
5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
CID 65309366
N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60668984
4-bromo-N-(cyclopropylmethyl)-N,3-dimethylbenzamide
CID 115770194
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbenzamide
CID 78816760
4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide
CID 107205681
4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 113339013
4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide
CID 112706331
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzamide
CID 115770617
N-(2-amino-2-oxoethyl)-3-bromo-N,4-dimethylbenzamide
CID 79466936
2-(4-bromobenzoyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 36943976

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylbenzamide?
The IUPAC name of 4-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylbenzamide (CID 115769521) is 4-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylbenzamide?
The canonical SMILES for 4-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylbenzamide is CCN(CC)C(=O)CN(C)C(=O)c1ccc(Br)c(C)c1.
What is the InChIKey of 4-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylbenzamide?
The InChIKey is XUCWOPGYDNQFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-5-18(6-2)14(19)10-17(4)15(20)12-7-8-13(16)11(3)9-12/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 4-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylbenzamide?
4-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-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 4-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylbenzamide is sourced from PubChem (CID 115769521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).