N-(1-bromopropan-2-yl)-2-chloro-5-hydroxybenzamide

C10H11BrClNO2 — CID 106503155

IUPACN-(1-bromopropan-2-yl)-2-chloro-5-hydroxybenzamide
SMILESCC(CBr)NC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C10H11BrClNO2/c1-6(5-11)13-10(15)8-4-7(14)2-3-9(8)12/h2-4,6,14H,5H2,1H3,(H,13,15)
InChIKeyHNQBLZNNUDUMAY-UHFFFAOYSA-N
MW292.56 g/mol
LogP2.56
Rot. Bonds3

About N-(1-bromopropan-2-yl)-2-chloro-5-hydroxybenzamide

N-(1-bromopropan-2-yl)-2-chloro-5-hydroxybenzamide (PubChem CID 106503155) has the molecular formula C10H11BrClNO2 and a molecular weight of 292.56 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-2-chloro-5-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-2-chloro-5-hydroxybenzamide
PubChem CID106503155
Molecular FormulaC10H11BrClNO2
Molecular Weight292.56 g/mol
Exact Mass290.97
IUPAC NameN-(1-bromopropan-2-yl)-2-chloro-5-hydroxybenzamide
SMILESCC(CBr)NC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C10H11BrClNO2/c1-6(5-11)13-10(15)8-4-7(14)2-3-9(8)12/h2-4,6,14H,5H2,1H3,(H,13,15)
InChIKeyHNQBLZNNUDUMAY-UHFFFAOYSA-N
XLogP2.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 106501557
N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide
CID 83179376
N-(1-bromopropan-2-yl)-4-chlorobenzamide
CID 114310647
2-chloro-N-[1-(2-chlorophenyl)ethyl]-5-hydroxybenzamide
CID 106501562
2-chloro-N-(1-cyano-2-methylpropyl)-5-hydroxybenzamide
CID 106501016
2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 106502576
5-bromo-N-butan-2-yl-2-chlorobenzamide
CID 60629191
5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide
CID 114299553
5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide
CID 93417126
2-chloro-5-hydroxy-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 100647066
2-chloro-5-hydroxy-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 119035650
(2R)-2-[(2-chloro-5-hydroxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 106500408

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-2-chloro-5-hydroxybenzamide?
The IUPAC name of N-(1-bromopropan-2-yl)-2-chloro-5-hydroxybenzamide (CID 106503155) is N-(1-bromopropan-2-yl)-2-chloro-5-hydroxybenzamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-2-chloro-5-hydroxybenzamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-2-chloro-5-hydroxybenzamide is CC(CBr)NC(=O)c1cc(O)ccc1Cl.
What is the InChIKey of N-(1-bromopropan-2-yl)-2-chloro-5-hydroxybenzamide?
The InChIKey is HNQBLZNNUDUMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO2/c1-6(5-11)13-10(15)8-4-7(14)2-3-9(8)12/h2-4,6,14H,5H2,1H3,(H,13,15).
What are the key properties of N-(1-bromopropan-2-yl)-2-chloro-5-hydroxybenzamide?
N-(1-bromopropan-2-yl)-2-chloro-5-hydroxybenzamide has a molecular weight of 292.56 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-2-chloro-5-hydroxybenzamide is sourced from PubChem (CID 106503155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).