2-bromo-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide

C12H14BrClN2O2 — CID 103611936

IUPAC2-bromo-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(C)C(=O)CN(C)C(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C12H14BrClN2O2/c1-15(2)11(17)7-16(3)12(18)9-6-8(14)4-5-10(9)13/h4-6H,7H2,1-3H3
InChIKeyQOQIZTLSZWVOPR-UHFFFAOYSA-N
MW333.61 g/mol
LogP2.26
Rot. Bonds3

About 2-bromo-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide

2-bromo-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 103611936) has the molecular formula C12H14BrClN2O2 and a molecular weight of 333.61 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
PubChem CID103611936
Molecular FormulaC12H14BrClN2O2
Molecular Weight333.61 g/mol
Exact Mass331.99
IUPAC Name2-bromo-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(C)C(=O)CN(C)C(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C12H14BrClN2O2/c1-15(2)11(17)7-16(3)12(18)9-6-8(14)4-5-10(9)13/h4-6H,7H2,1-3H3
InChIKeyQOQIZTLSZWVOPR-UHFFFAOYSA-N
XLogP2.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.61
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-chloro-N,N-dimethylbenzamide
CID 78851053
N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-chloro-N-methylbenzamide;hydrochloride
CID 119656122
methyl 4-[(2-bromo-5-chlorobenzoyl)-methylamino]butanoate
CID 78850133
2-bromo-5-chloro-N,N-dipropylbenzamide
CID 78849542
2-bromo-5-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 104928067
2-[(2,5-dibromobenzoyl)-methylamino]acetic acid
CID 114367825
2-bromo-5-chloro-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 113221937
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 9227114
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-bromo-4-chloro-N-methylbenzamide
CID 107992431
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 114370543
5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-hydroxybenzamide
CID 47298057

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 2-bromo-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide (CID 103611936) is 2-bromo-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 2-bromo-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide is CN(C)C(=O)CN(C)C(=O)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is QOQIZTLSZWVOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O2/c1-15(2)11(17)7-16(3)12(18)9-6-8(14)4-5-10(9)13/h4-6H,7H2,1-3H3.
What are the key properties of 2-bromo-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide?
2-bromo-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 333.61 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 103611936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).