4-chloro-5-(3-hydroxypropoxy)-2-methylbenzamide

C11H14ClNO3 — CID 68604120

IUPAC4-chloro-5-(3-hydroxypropoxy)-2-methylbenzamide
SMILESCc1cc(Cl)c(OCCCO)cc1C(N)=O
InChIInChI=1S/C11H14ClNO3/c1-7-5-9(12)10(16-4-2-3-14)6-8(7)11(13)15/h5-6,14H,2-4H2,1H3,(H2,13,15)
InChIKeyXUUZNVMPNGLYLZ-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.51
Rot. Bonds5

About 4-chloro-5-(3-hydroxypropoxy)-2-methylbenzamide

4-chloro-5-(3-hydroxypropoxy)-2-methylbenzamide (PubChem CID 68604120) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-chloro-5-(3-hydroxypropoxy)-2-methylbenzamide.

Molecular Properties

Compound Name4-chloro-5-(3-hydroxypropoxy)-2-methylbenzamide
PubChem CID68604120
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name4-chloro-5-(3-hydroxypropoxy)-2-methylbenzamide
SMILESCc1cc(Cl)c(OCCCO)cc1C(N)=O
InChIInChI=1S/C11H14ClNO3/c1-7-5-9(12)10(16-4-2-3-14)6-8(7)11(13)15/h5-6,14H,2-4H2,1H3,(H2,13,15)
InChIKeyXUUZNVMPNGLYLZ-UHFFFAOYSA-N
XLogP1.51
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3-hydroxypropoxy)-2-methylbenzamide?
The IUPAC name of 4-chloro-5-(3-hydroxypropoxy)-2-methylbenzamide (CID 68604120) is 4-chloro-5-(3-hydroxypropoxy)-2-methylbenzamide.
What is the SMILES notation for 4-chloro-5-(3-hydroxypropoxy)-2-methylbenzamide?
The canonical SMILES for 4-chloro-5-(3-hydroxypropoxy)-2-methylbenzamide is Cc1cc(Cl)c(OCCCO)cc1C(N)=O.
What is the InChIKey of 4-chloro-5-(3-hydroxypropoxy)-2-methylbenzamide?
The InChIKey is XUUZNVMPNGLYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-7-5-9(12)10(16-4-2-3-14)6-8(7)11(13)15/h5-6,14H,2-4H2,1H3,(H2,13,15).
What are the key properties of 4-chloro-5-(3-hydroxypropoxy)-2-methylbenzamide?
4-chloro-5-(3-hydroxypropoxy)-2-methylbenzamide has a molecular weight of 243.69 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3-hydroxypropoxy)-2-methylbenzamide is sourced from PubChem (CID 68604120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).