4-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-hydroxybenzamide

C13H17BrN2O3 — CID 103110775

IUPAC4-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-hydroxybenzamide
SMILESCCN(C)C(=O)C(C)NC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C13H17BrN2O3/c1-4-16(3)13(19)8(2)15-12(18)10-6-5-9(14)7-11(10)17/h5-8,17H,4H2,1-3H3,(H,15,18)
InChIKeyJBYKVKHKDYMKGJ-UHFFFAOYSA-N
MW329.19 g/mol
LogP1.75
Rot. Bonds4

About 4-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-hydroxybenzamide

4-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-hydroxybenzamide (PubChem CID 103110775) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is 4-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-hydroxybenzamide
PubChem CID103110775
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name4-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-hydroxybenzamide
SMILESCCN(C)C(=O)C(C)NC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C13H17BrN2O3/c1-4-16(3)13(19)8(2)15-12(18)10-6-5-9(14)7-11(10)17/h5-8,17H,4H2,1-3H3,(H,15,18)
InChIKeyJBYKVKHKDYMKGJ-UHFFFAOYSA-N
XLogP1.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-butan-2-yl-2-hydroxybenzamide
CID 47435868
3-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-methylbenzamide
CID 103110545
4-bromo-2-hydroxy-N-octan-2-ylbenzamide
CID 55223939
3-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxybenzamide
CID 103110763
4-bromo-2-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906485
2-[(4-bromophenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107208
5-amino-2,3-dichloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
CID 107186105
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2,5-difluorobenzamide
CID 107121548
5-bromo-2-hydroxy-N-(3-oxobutan-2-yl)benzamide
CID 107729642
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-hydroxybenzamide
CID 83120499
4-bromo-N-(1-chloropropan-2-yl)-2-hydroxy-N-methylbenzamide
CID 104555603
2-[(5-bromo-2-nitrophenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107680

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-hydroxybenzamide?
The IUPAC name of 4-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-hydroxybenzamide (CID 103110775) is 4-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-hydroxybenzamide is CCN(C)C(=O)C(C)NC(=O)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-hydroxybenzamide?
The InChIKey is JBYKVKHKDYMKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-4-16(3)13(19)8(2)15-12(18)10-6-5-9(14)7-11(10)17/h5-8,17H,4H2,1-3H3,(H,15,18).
What are the key properties of 4-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-hydroxybenzamide?
4-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-hydroxybenzamide has a molecular weight of 329.19 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-hydroxybenzamide is sourced from PubChem (CID 103110775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).