5-bromo-N-[2-(4-chloroanilino)-2-oxoethyl]-2-hydroxy-N-methylbenzamide

C16H14BrClN2O3 — CID 17431566

IUPAC5-bromo-N-[2-(4-chloroanilino)-2-oxoethyl]-2-hydroxy-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C16H14BrClN2O3/c1-20(16(23)13-8-10(17)2-7-14(13)21)9-15(22)19-12-5-3-11(18)4-6-12/h2-8,21H,9H2,1H3,(H,19,22)
InChIKeyFLYVDEVKQIKOKD-UHFFFAOYSA-N
MW397.66 g/mol
LogP3.52
Rot. Bonds4

About 5-bromo-N-[2-(4-chloroanilino)-2-oxoethyl]-2-hydroxy-N-methylbenzamide

5-bromo-N-[2-(4-chloroanilino)-2-oxoethyl]-2-hydroxy-N-methylbenzamide (PubChem CID 17431566) has the molecular formula C16H14BrClN2O3 and a molecular weight of 397.66 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-chloroanilino)-2-oxoethyl]-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-chloroanilino)-2-oxoethyl]-2-hydroxy-N-methylbenzamide
PubChem CID17431566
Molecular FormulaC16H14BrClN2O3
Molecular Weight397.66 g/mol
Exact Mass395.99
IUPAC Name5-bromo-N-[2-(4-chloroanilino)-2-oxoethyl]-2-hydroxy-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C16H14BrClN2O3/c1-20(16(23)13-8-10(17)2-7-14(13)21)9-15(22)19-12-5-3-11(18)4-6-12/h2-8,21H,9H2,1H3,(H,19,22)
InChIKeyFLYVDEVKQIKOKD-UHFFFAOYSA-N
XLogP3.52
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.66
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide
CID 2454779
5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide
CID 107730306
5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide
CID 26904812
N-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide
CID 104872346
(E)-3-(4-bromophenyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9417172
2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 39122596
2-[(3-bromophenyl)sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide
CID 2535186
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide
CID 9417366
5-bromo-N-[(2,3-dichlorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 35977920
3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 62729410
trans-(1R,2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 9417409
3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 63679192

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-chloroanilino)-2-oxoethyl]-2-hydroxy-N-methylbenzamide?
The IUPAC name of 5-bromo-N-[2-(4-chloroanilino)-2-oxoethyl]-2-hydroxy-N-methylbenzamide (CID 17431566) is 5-bromo-N-[2-(4-chloroanilino)-2-oxoethyl]-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for 5-bromo-N-[2-(4-chloroanilino)-2-oxoethyl]-2-hydroxy-N-methylbenzamide?
The canonical SMILES for 5-bromo-N-[2-(4-chloroanilino)-2-oxoethyl]-2-hydroxy-N-methylbenzamide is CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-[2-(4-chloroanilino)-2-oxoethyl]-2-hydroxy-N-methylbenzamide?
The InChIKey is FLYVDEVKQIKOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O3/c1-20(16(23)13-8-10(17)2-7-14(13)21)9-15(22)19-12-5-3-11(18)4-6-12/h2-8,21H,9H2,1H3,(H,19,22).
What are the key properties of 5-bromo-N-[2-(4-chloroanilino)-2-oxoethyl]-2-hydroxy-N-methylbenzamide?
5-bromo-N-[2-(4-chloroanilino)-2-oxoethyl]-2-hydroxy-N-methylbenzamide has a molecular weight of 397.66 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-chloroanilino)-2-oxoethyl]-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 17431566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).