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

C12H14BrClN2O2 — CID 104920335

IUPAC5-bromo-2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
SMILESCCN(C)C(=O)CNC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H14BrClN2O2/c1-3-16(2)11(17)7-15-12(18)9-6-8(13)4-5-10(9)14/h4-6H,3,7H2,1-2H3,(H,15,18)
InChIKeyRWIDQWQAMMHOBP-UHFFFAOYSA-N
MW333.61 g/mol
LogP2.31
Rot. Bonds4

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

5-bromo-2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide (PubChem CID 104920335) has the molecular formula C12H14BrClN2O2 and a molecular weight of 333.61 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
PubChem CID104920335
Molecular FormulaC12H14BrClN2O2
Molecular Weight333.61 g/mol
Exact Mass331.99
IUPAC Name5-bromo-2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
SMILESCCN(C)C(=O)CNC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H14BrClN2O2/c1-3-16(2)11(17)7-15-12(18)9-6-8(13)4-5-10(9)14/h4-6H,3,7H2,1-2H3,(H,15,18)
InChIKeyRWIDQWQAMMHOBP-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

2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 134063159
2-bromo-5-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 104928067
3-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-4-carboxamide
CID 104920297
2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-nitrobenzamide
CID 104928075
4-amino-3,5-dichloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 104931694
[2-[(5-bromo-2-chlorobenzoyl)amino]acetyl] propanoate;ethane;pentane
CID 145402757
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]benzoic acid
CID 114132536
5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503330
N-(2-amino-2-methylpropyl)-5-bromo-2-chlorobenzamide;hydrochloride
CID 119629541
5-bromo-2-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364457
5-bromo-N-butyl-2-chloro-N-methylbenzamide
CID 60653969
3-bromo-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide
CID 104920331

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide (CID 104920335) is 5-bromo-2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide is CCN(C)C(=O)CNC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide?
The InChIKey is RWIDQWQAMMHOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O2/c1-3-16(2)11(17)7-15-12(18)9-6-8(13)4-5-10(9)14/h4-6H,3,7H2,1-2H3,(H,15,18).
What are the key properties of 5-bromo-2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide?
5-bromo-2-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 5-bromo-2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 104920335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).