3-bromo-N-[2-(2-ethylbutylamino)-2-oxoethyl]benzamide

C15H21BrN2O2 — CID 115613542

IUPAC3-bromo-N-[2-(2-ethylbutylamino)-2-oxoethyl]benzamide
SMILESCCC(CC)CNC(=O)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C15H21BrN2O2/c1-3-11(4-2)9-17-14(19)10-18-15(20)12-6-5-7-13(16)8-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyZCPCWUFBFLNAIL-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.73
Rot. Bonds7

About 3-bromo-N-[2-(2-ethylbutylamino)-2-oxoethyl]benzamide

3-bromo-N-[2-(2-ethylbutylamino)-2-oxoethyl]benzamide (PubChem CID 115613542) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 3-bromo-N-[2-(2-ethylbutylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(2-ethylbutylamino)-2-oxoethyl]benzamide
PubChem CID115613542
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name3-bromo-N-[2-(2-ethylbutylamino)-2-oxoethyl]benzamide
SMILESCCC(CC)CNC(=O)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C15H21BrN2O2/c1-3-11(4-2)9-17-14(19)10-18-15(20)12-6-5-7-13(16)8-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyZCPCWUFBFLNAIL-UHFFFAOYSA-N
XLogP2.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120831532
3-bromo-N-[2-(butan-2-ylamino)-2-oxoethyl]benzamide
CID 46521709
3-bromo-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981787
3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 51162907
3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride
CID 119505849
3-bromo-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 41387812
3-bromo-N-(2-methylbutyl)benzamide
CID 62693100
3-bromo-N-[2-(2,6-diethylanilino)-2-oxoethyl]benzamide
CID 112997289
N-[2-(3-aminopropylamino)-2-oxoethyl]-3-bromobenzamide
CID 119405892
N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3-bromobenzamide
CID 119665856
3-bromo-N-[2-oxo-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]amino]ethyl]benzamide
CID 51923127
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CID 106117633

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(2-ethylbutylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-(2-ethylbutylamino)-2-oxoethyl]benzamide (CID 115613542) is 3-bromo-N-[2-(2-ethylbutylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-(2-ethylbutylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-(2-ethylbutylamino)-2-oxoethyl]benzamide is CCC(CC)CNC(=O)CNC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(2-ethylbutylamino)-2-oxoethyl]benzamide?
The InChIKey is ZCPCWUFBFLNAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-3-11(4-2)9-17-14(19)10-18-15(20)12-6-5-7-13(16)8-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-bromo-N-[2-(2-ethylbutylamino)-2-oxoethyl]benzamide?
3-bromo-N-[2-(2-ethylbutylamino)-2-oxoethyl]benzamide has a molecular weight of 341.25 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(2-ethylbutylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 115613542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).