3-chloro-5-methoxy-4-(2-methylprop-2-enoxy)benzamide

C12H14ClNO3 — CID 6459453

IUPAC3-chloro-5-methoxy-4-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1c(Cl)cc(C(N)=O)cc1OC
InChIInChI=1S/C12H14ClNO3/c1-7(2)6-17-11-9(13)4-8(12(14)15)5-10(11)16-3/h4-5H,1,6H2,2-3H3,(H2,14,15)
InChIKeyRQINPIMVJFJNAL-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.40
Rot. Bonds5

About 3-chloro-5-methoxy-4-(2-methylprop-2-enoxy)benzamide

3-chloro-5-methoxy-4-(2-methylprop-2-enoxy)benzamide (PubChem CID 6459453) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 3-chloro-5-methoxy-4-(2-methylprop-2-enoxy)benzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-4-(2-methylprop-2-enoxy)benzamide
PubChem CID6459453
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name3-chloro-5-methoxy-4-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1c(Cl)cc(C(N)=O)cc1OC
InChIInChI=1S/C12H14ClNO3/c1-7(2)6-17-11-9(13)4-8(12(14)15)5-10(11)16-3/h4-5H,1,6H2,2-3H3,(H2,14,15)
InChIKeyRQINPIMVJFJNAL-UHFFFAOYSA-N
XLogP2.40
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-5-methoxy-4-(2-methylprop-2-enoxy)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-4-(2-methylprop-2-enoxy)benzamide?
The IUPAC name of 3-chloro-5-methoxy-4-(2-methylprop-2-enoxy)benzamide (CID 6459453) is 3-chloro-5-methoxy-4-(2-methylprop-2-enoxy)benzamide.
What is the SMILES notation for 3-chloro-5-methoxy-4-(2-methylprop-2-enoxy)benzamide?
The canonical SMILES for 3-chloro-5-methoxy-4-(2-methylprop-2-enoxy)benzamide is C=C(C)COc1c(Cl)cc(C(N)=O)cc1OC.
What is the InChIKey of 3-chloro-5-methoxy-4-(2-methylprop-2-enoxy)benzamide?
The InChIKey is RQINPIMVJFJNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-7(2)6-17-11-9(13)4-8(12(14)15)5-10(11)16-3/h4-5H,1,6H2,2-3H3,(H2,14,15).
What are the key properties of 3-chloro-5-methoxy-4-(2-methylprop-2-enoxy)benzamide?
3-chloro-5-methoxy-4-(2-methylprop-2-enoxy)benzamide has a molecular weight of 255.70 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-4-(2-methylprop-2-enoxy)benzamide is sourced from PubChem (CID 6459453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).