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

C10H11Cl2NO2 — CID 114299358

IUPAC5-chloro-N-(1-chloropropan-2-yl)-2-hydroxybenzamide
SMILESCC(CCl)NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C10H11Cl2NO2/c1-6(5-11)13-10(15)8-4-7(12)2-3-9(8)14/h2-4,6,14H,5H2,1H3,(H,13,15)
InChIKeyCTGIHTSMVJOWHI-UHFFFAOYSA-N
MW248.11 g/mol
LogP2.40
Rot. Bonds3

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

5-chloro-N-(1-chloropropan-2-yl)-2-hydroxybenzamide (PubChem CID 114299358) has the molecular formula C10H11Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is 5-chloro-N-(1-chloropropan-2-yl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(1-chloropropan-2-yl)-2-hydroxybenzamide
PubChem CID114299358
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.02
IUPAC Name5-chloro-N-(1-chloropropan-2-yl)-2-hydroxybenzamide
SMILESCC(CCl)NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C10H11Cl2NO2/c1-6(5-11)13-10(15)8-4-7(12)2-3-9(8)14/h2-4,6,14H,5H2,1H3,(H,13,15)
InChIKeyCTGIHTSMVJOWHI-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.40
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

5-chloro-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 113248423
5-chloro-2-hydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217192
5-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-hydroxybenzamide
CID 47168819
2-[(5-chloro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid
CID 43185169
2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 43185166
5-chloro-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 43402430
5-chloro-N-(1-cyclopropylethyl)-2-hydroxybenzamide
CID 43401499
N-(1-amino-3,3-dimethylbutan-2-yl)-5-chloro-2-hydroxybenzamide
CID 114208009
5-chloro-N-(1-hydroxypropan-2-yl)-2-methylbenzamide
CID 115532816
N-[(2R)-4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutan-2-yl]benzamide
CID 42209652
N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide
CID 83179376
5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide
CID 114299553

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-chloropropan-2-yl)-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-(1-chloropropan-2-yl)-2-hydroxybenzamide (CID 114299358) is 5-chloro-N-(1-chloropropan-2-yl)-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-(1-chloropropan-2-yl)-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-(1-chloropropan-2-yl)-2-hydroxybenzamide is CC(CCl)NC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-(1-chloropropan-2-yl)-2-hydroxybenzamide?
The InChIKey is CTGIHTSMVJOWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2/c1-6(5-11)13-10(15)8-4-7(12)2-3-9(8)14/h2-4,6,14H,5H2,1H3,(H,13,15).
What are the key properties of 5-chloro-N-(1-chloropropan-2-yl)-2-hydroxybenzamide?
5-chloro-N-(1-chloropropan-2-yl)-2-hydroxybenzamide has a molecular weight of 248.11 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-chloropropan-2-yl)-2-hydroxybenzamide is sourced from PubChem (CID 114299358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).