2-bromo-5-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide

C12H14BrClN2O2 — CID 104928067

IUPAC2-bromo-5-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
SMILESCCN(C)C(=O)CNC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C12H14BrClN2O2/c1-3-16(2)11(17)7-15-12(18)9-6-8(14)4-5-10(9)13/h4-6H,3,7H2,1-2H3,(H,15,18)
InChIKeyAYOSHILGJPHNGS-UHFFFAOYSA-N
MW333.61 g/mol
LogP2.31
Rot. Bonds4

About 2-bromo-5-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide

2-bromo-5-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide (PubChem CID 104928067) has the molecular formula C12H14BrClN2O2 and a molecular weight of 333.61 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
PubChem CID104928067
Molecular FormulaC12H14BrClN2O2
Molecular Weight333.61 g/mol
Exact Mass331.99
IUPAC Name2-bromo-5-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
SMILESCCN(C)C(=O)CNC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C12H14BrClN2O2/c1-3-16(2)11(17)7-15-12(18)9-6-8(14)4-5-10(9)13/h4-6H,3,7H2,1-2H3,(H,15,18)
InChIKeyAYOSHILGJPHNGS-UHFFFAOYSA-N
XLogP2.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.61
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 104920335
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 134063159
2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508533
2-bromo-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 103611936
3-bromo-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide
CID 104920331
2-bromo-5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzamide
CID 106254174
2-bromo-5-chloro-N,N-dimethylbenzamide
CID 78851053
3-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-4-carboxamide
CID 104920297
2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654149
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]benzoic acid
CID 114132536
2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-nitrobenzamide
CID 104928075

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-bromo-5-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide (CID 104928067) is 2-bromo-5-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide is CCN(C)C(=O)CNC(=O)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide?
The InChIKey is AYOSHILGJPHNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O2/c1-3-16(2)11(17)7-15-12(18)9-6-8(14)4-5-10(9)13/h4-6H,3,7H2,1-2H3,(H,15,18).
What are the key properties of 2-bromo-5-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide?
2-bromo-5-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide has a molecular weight of 333.61 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 104928067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).