N-[1-(benzylamino)-1-oxopropan-2-yl]-5-bromo-2-hydroxybenzamide

C17H17BrN2O3 — CID 60571641

IUPACN-[1-(benzylamino)-1-oxopropan-2-yl]-5-bromo-2-hydroxybenzamide
SMILESCC(NC(=O)c1cc(Br)ccc1O)C(=O)NCc1ccccc1
InChIInChI=1S/C17H17BrN2O3/c1-11(16(22)19-10-12-5-3-2-4-6-12)20-17(23)14-9-13(18)7-8-15(14)21/h2-9,11,21H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyAYWUJMYHLZIZHQ-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.59
Rot. Bonds5

About N-[1-(benzylamino)-1-oxopropan-2-yl]-5-bromo-2-hydroxybenzamide

N-[1-(benzylamino)-1-oxopropan-2-yl]-5-bromo-2-hydroxybenzamide (PubChem CID 60571641) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N-[1-(benzylamino)-1-oxopropan-2-yl]-5-bromo-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(benzylamino)-1-oxopropan-2-yl]-5-bromo-2-hydroxybenzamide
PubChem CID60571641
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN-[1-(benzylamino)-1-oxopropan-2-yl]-5-bromo-2-hydroxybenzamide
SMILESCC(NC(=O)c1cc(Br)ccc1O)C(=O)NCc1ccccc1
InChIInChI=1S/C17H17BrN2O3/c1-11(16(22)19-10-12-5-3-2-4-6-12)20-17(23)14-9-13(18)7-8-15(14)21/h2-9,11,21H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyAYWUJMYHLZIZHQ-UHFFFAOYSA-N
XLogP2.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-hydroxy-N-(1-phenylpropan-2-yl)benzamide
CID 107729749
5-bromo-2-hydroxy-N-(3-oxobutan-2-yl)benzamide
CID 107729642
5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 27163181
N-[1-(benzylamino)-1-oxopropan-2-yl]-2-phenoxybenzamide
CID 60571640
5-bromo-2-hydroxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55798078
N-benzyl-2-(methylcarbamoylamino)propanamide
CID 47377374
N-[1-(benzylamino)-1-oxopropan-2-yl]-2-(4-methylbenzoyl)benzamide
CID 60571715
5-bromo-2-hydroxy-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]benzamide
CID 60584852
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593
5-bromo-2-hydroxy-N-pentan-3-ylbenzamide
CID 103600405
N-[(4-aminophenyl)methyl]-5-bromo-2-hydroxybenzamide
CID 107729215
5-bromo-2-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733019

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzylamino)-1-oxopropan-2-yl]-5-bromo-2-hydroxybenzamide?
The IUPAC name of N-[1-(benzylamino)-1-oxopropan-2-yl]-5-bromo-2-hydroxybenzamide (CID 60571641) is N-[1-(benzylamino)-1-oxopropan-2-yl]-5-bromo-2-hydroxybenzamide.
What is the SMILES notation for N-[1-(benzylamino)-1-oxopropan-2-yl]-5-bromo-2-hydroxybenzamide?
The canonical SMILES for N-[1-(benzylamino)-1-oxopropan-2-yl]-5-bromo-2-hydroxybenzamide is CC(NC(=O)c1cc(Br)ccc1O)C(=O)NCc1ccccc1.
What is the InChIKey of N-[1-(benzylamino)-1-oxopropan-2-yl]-5-bromo-2-hydroxybenzamide?
The InChIKey is AYWUJMYHLZIZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-11(16(22)19-10-12-5-3-2-4-6-12)20-17(23)14-9-13(18)7-8-15(14)21/h2-9,11,21H,10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[1-(benzylamino)-1-oxopropan-2-yl]-5-bromo-2-hydroxybenzamide?
N-[1-(benzylamino)-1-oxopropan-2-yl]-5-bromo-2-hydroxybenzamide has a molecular weight of 377.24 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzylamino)-1-oxopropan-2-yl]-5-bromo-2-hydroxybenzamide is sourced from PubChem (CID 60571641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).