3-bromo-N-[2-(2,6-diethylanilino)-2-oxoethyl]benzamide

C19H21BrN2O2 — CID 112997289

IUPAC3-bromo-N-[2-(2,6-diethylanilino)-2-oxoethyl]benzamide
SMILESCCc1cccc(CC)c1NC(=O)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C19H21BrN2O2/c1-3-13-7-5-8-14(4-2)18(13)22-17(23)12-21-19(24)15-9-6-10-16(20)11-15/h5-11H,3-4,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyHPFUFQNZEORAAE-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.94
Rot. Bonds6

About 3-bromo-N-[2-(2,6-diethylanilino)-2-oxoethyl]benzamide

3-bromo-N-[2-(2,6-diethylanilino)-2-oxoethyl]benzamide (PubChem CID 112997289) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 3-bromo-N-[2-(2,6-diethylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(2,6-diethylanilino)-2-oxoethyl]benzamide
PubChem CID112997289
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name3-bromo-N-[2-(2,6-diethylanilino)-2-oxoethyl]benzamide
SMILESCCc1cccc(CC)c1NC(=O)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C19H21BrN2O2/c1-3-13-7-5-8-14(4-2)18(13)22-17(23)12-21-19(24)15-9-6-10-16(20)11-15/h5-11H,3-4,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyHPFUFQNZEORAAE-UHFFFAOYSA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,6-diethylanilino)-2-oxoethyl]-3-fluorobenzamide
CID 112997286
3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide
CID 26538678
3-bromo-N-[2-(butan-2-ylamino)-2-oxoethyl]benzamide
CID 46521709
3-bromo-N-[2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoethyl]benzamide
CID 26121561
3-bromo-N-[2-(2-ethylbutylamino)-2-oxoethyl]benzamide
CID 115613542
N-[2-(2,6-diethylanilino)-2-oxoethyl]-2-ethylbutanamide
CID 112997279
3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride
CID 119505849
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091
3-bromo-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 41387812
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-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 18109524

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(2,6-diethylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-(2,6-diethylanilino)-2-oxoethyl]benzamide (CID 112997289) is 3-bromo-N-[2-(2,6-diethylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-(2,6-diethylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-(2,6-diethylanilino)-2-oxoethyl]benzamide is CCc1cccc(CC)c1NC(=O)CNC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(2,6-diethylanilino)-2-oxoethyl]benzamide?
The InChIKey is HPFUFQNZEORAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-3-13-7-5-8-14(4-2)18(13)22-17(23)12-21-19(24)15-9-6-10-16(20)11-15/h5-11H,3-4,12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 3-bromo-N-[2-(2,6-diethylanilino)-2-oxoethyl]benzamide?
3-bromo-N-[2-(2,6-diethylanilino)-2-oxoethyl]benzamide has a molecular weight of 389.29 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(2,6-diethylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 112997289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).