3-chloro-5-methoxy-N-methyl-4-propoxybenzamide

C12H16ClNO3 — CID 2224301

IUPAC3-chloro-5-methoxy-N-methyl-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NC)cc1OC
InChIInChI=1S/C12H16ClNO3/c1-4-5-17-11-9(13)6-8(12(15)14-2)7-10(11)16-3/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyJBFGHMLHAFELLW-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.50
Rot. Bonds5

About 3-chloro-5-methoxy-N-methyl-4-propoxybenzamide

3-chloro-5-methoxy-N-methyl-4-propoxybenzamide (PubChem CID 2224301) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-methyl-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-methyl-4-propoxybenzamide
PubChem CID2224301
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name3-chloro-5-methoxy-N-methyl-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NC)cc1OC
InChIInChI=1S/C12H16ClNO3/c1-4-5-17-11-9(13)6-8(12(15)14-2)7-10(11)16-3/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyJBFGHMLHAFELLW-UHFFFAOYSA-N
XLogP2.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-N-methyl-4-propoxybenzamide?
The IUPAC name of 3-chloro-5-methoxy-N-methyl-4-propoxybenzamide (CID 2224301) is 3-chloro-5-methoxy-N-methyl-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-5-methoxy-N-methyl-4-propoxybenzamide?
The canonical SMILES for 3-chloro-5-methoxy-N-methyl-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)NC)cc1OC.
What is the InChIKey of 3-chloro-5-methoxy-N-methyl-4-propoxybenzamide?
The InChIKey is JBFGHMLHAFELLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-4-5-17-11-9(13)6-8(12(15)14-2)7-10(11)16-3/h6-7H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 3-chloro-5-methoxy-N-methyl-4-propoxybenzamide?
3-chloro-5-methoxy-N-methyl-4-propoxybenzamide has a molecular weight of 257.72 g/mol, XLogP of 2.50, 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-N-methyl-4-propoxybenzamide is sourced from PubChem (CID 2224301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).