2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide

C13H16ClNO3 — CID 106502213

IUPAC2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
SMILESC=C(C)COCCNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C13H16ClNO3/c1-9(2)8-18-6-5-15-13(17)11-7-10(16)3-4-12(11)14/h3-4,7,16H,1,5-6,8H2,2H3,(H,15,17)
InChIKeyDQYGEMKAOOGNOC-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.37
Rot. Bonds6

About 2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide

2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide (PubChem CID 106502213) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
PubChem CID106502213
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
SMILESC=C(C)COCCNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C13H16ClNO3/c1-9(2)8-18-6-5-15-13(17)11-7-10(16)3-4-12(11)14/h3-4,7,16H,1,5-6,8H2,2H3,(H,15,17)
InChIKeyDQYGEMKAOOGNOC-UHFFFAOYSA-N
XLogP2.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699924
N-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide
CID 106502163
methyl 3-[(2-chloro-5-hydroxybenzoyl)amino]propanoate
CID 106501475
3,5-dichloro-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699714
2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699987
3-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
CID 114469581
2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 106502576
2-(2,4-dichlorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699674
5-bromo-2-iodo-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 113258386
N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide
CID 107321908
2-chloro-N-(2-ethylsulfonylethyl)-5-hydroxybenzamide
CID 106741452
N-[2-(2-aminophenoxy)ethyl]-2-chloro-5-hydroxybenzamide
CID 106500099

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The IUPAC name of 2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide (CID 106502213) is 2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The canonical SMILES for 2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide is C=C(C)COCCNC(=O)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The InChIKey is DQYGEMKAOOGNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-9(2)8-18-6-5-15-13(17)11-7-10(16)3-4-12(11)14/h3-4,7,16H,1,5-6,8H2,2H3,(H,15,17).
What are the key properties of 2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide has a molecular weight of 269.73 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide is sourced from PubChem (CID 106502213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).