3-chloro-N-(3-hydroxy-5-methylphenyl)propanamide

C10H12ClNO2 — CID 125452701

IUPAC3-chloro-N-(3-hydroxy-5-methylphenyl)propanamide
SMILESCc1cc(O)cc(NC(=O)CCCl)c1
InChIInChI=1S/C10H12ClNO2/c1-7-4-8(6-9(13)5-7)12-10(14)2-3-11/h4-6,13H,2-3H2,1H3,(H,12,14)
InChIKeyJEUNQIWWZBDMLN-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.27
Rot. Bonds3

About 3-chloro-N-(3-hydroxy-5-methylphenyl)propanamide

3-chloro-N-(3-hydroxy-5-methylphenyl)propanamide (PubChem CID 125452701) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 3-chloro-N-(3-hydroxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(3-hydroxy-5-methylphenyl)propanamide
PubChem CID125452701
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name3-chloro-N-(3-hydroxy-5-methylphenyl)propanamide
SMILESCc1cc(O)cc(NC(=O)CCCl)c1
InChIInChI=1S/C10H12ClNO2/c1-7-4-8(6-9(13)5-7)12-10(14)2-3-11/h4-6,13H,2-3H2,1H3,(H,12,14)
InChIKeyJEUNQIWWZBDMLN-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.27
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

3-chloro-N-(3-hydroxy-4-methylphenyl)propanamide
CID 107701176
N-(3,5-dimethylphenyl)-3-(3-methyldiazirin-3-yl)propanamide
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3-chloro-N-[2-(3-chloropropanoylamino)-4-methylphenyl]propanamide
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3-chloro-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 43168007
N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide
CID 173312766
tert-butyl N-(3-hydroxy-5-methylphenyl)carbamate
CID 22033548
3-chloro-N-[3-(propanoylamino)phenyl]propanamide
CID 61251232
N-(3,5-dimethylphenyl)-4-(ethylamino)butanamide
CID 67275978
3-(ethylamino)-5-methylphenol
CID 15404865
N-(3-bromo-5-methylphenyl)-4,4,4-trifluorobutanamide
CID 104938592
N-(3,5-dimethylphenyl)-3-(3,5-dioxopyrazolidin-4-yl)propanamide
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CID 79049833

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-hydroxy-5-methylphenyl)propanamide?
The IUPAC name of 3-chloro-N-(3-hydroxy-5-methylphenyl)propanamide (CID 125452701) is 3-chloro-N-(3-hydroxy-5-methylphenyl)propanamide.
What is the SMILES notation for 3-chloro-N-(3-hydroxy-5-methylphenyl)propanamide?
The canonical SMILES for 3-chloro-N-(3-hydroxy-5-methylphenyl)propanamide is Cc1cc(O)cc(NC(=O)CCCl)c1.
What is the InChIKey of 3-chloro-N-(3-hydroxy-5-methylphenyl)propanamide?
The InChIKey is JEUNQIWWZBDMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-7-4-8(6-9(13)5-7)12-10(14)2-3-11/h4-6,13H,2-3H2,1H3,(H,12,14).
What are the key properties of 3-chloro-N-(3-hydroxy-5-methylphenyl)propanamide?
3-chloro-N-(3-hydroxy-5-methylphenyl)propanamide has a molecular weight of 213.66 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-hydroxy-5-methylphenyl)propanamide is sourced from PubChem (CID 125452701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).