3-chloro-N-(3-hydroxy-4-methylphenyl)propanamide

C10H12ClNO2 — CID 107701176

IUPAC3-chloro-N-(3-hydroxy-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCCl)cc1O
InChIInChI=1S/C10H12ClNO2/c1-7-2-3-8(6-9(7)13)12-10(14)4-5-11/h2-3,6,13H,4-5H2,1H3,(H,12,14)
InChIKeyBSOOCSVLEUYEBV-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.27
Rot. Bonds3

About 3-chloro-N-(3-hydroxy-4-methylphenyl)propanamide

3-chloro-N-(3-hydroxy-4-methylphenyl)propanamide (PubChem CID 107701176) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 3-chloro-N-(3-hydroxy-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(3-hydroxy-4-methylphenyl)propanamide
PubChem CID107701176
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name3-chloro-N-(3-hydroxy-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCCl)cc1O
InChIInChI=1S/C10H12ClNO2/c1-7-2-3-8(6-9(7)13)12-10(14)4-5-11/h2-3,6,13H,4-5H2,1H3,(H,12,14)
InChIKeyBSOOCSVLEUYEBV-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

N-(3-hydroxy-4-methylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740885
2-(tert-butylamino)-N-(3-hydroxy-4-methylphenyl)acetamide
CID 103828117
N-(3-hydroxy-4-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 64794194
2-(2,5-dimethylphenyl)-N-(3-hydroxy-4-methylphenyl)acetamide
CID 64793457
4-(3-hydroxy-4-methylanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 107699577
3-(4-aminophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide
CID 107699338
3-chloro-N-[3-(propanoylamino)phenyl]propanamide
CID 61251232
3-chloro-N-(3-hydroxy-5-methylphenyl)propanamide
CID 125452701
3-amino-N-(3-hydroxy-4-methylphenyl)-2,2-dimethylpropanamide
CID 107701407
N-(4-acetamido-3-chlorophenyl)-3-chloropropanamide
CID 43167983
3-chloro-N-[3-methyl-4-(trioxidanylsulfanyl)phenyl]propanamide
CID 20688587
2-[2-(aminomethyl)phenyl]-N-(3-hydroxy-4-methylphenyl)acetamide
CID 107701531

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-hydroxy-4-methylphenyl)propanamide?
The IUPAC name of 3-chloro-N-(3-hydroxy-4-methylphenyl)propanamide (CID 107701176) is 3-chloro-N-(3-hydroxy-4-methylphenyl)propanamide.
What is the SMILES notation for 3-chloro-N-(3-hydroxy-4-methylphenyl)propanamide?
The canonical SMILES for 3-chloro-N-(3-hydroxy-4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCCl)cc1O.
What is the InChIKey of 3-chloro-N-(3-hydroxy-4-methylphenyl)propanamide?
The InChIKey is BSOOCSVLEUYEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-7-2-3-8(6-9(7)13)12-10(14)4-5-11/h2-3,6,13H,4-5H2,1H3,(H,12,14).
What are the key properties of 3-chloro-N-(3-hydroxy-4-methylphenyl)propanamide?
3-chloro-N-(3-hydroxy-4-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-4-methylphenyl)propanamide is sourced from PubChem (CID 107701176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).