3-chloro-4-methyl-2-propylbenzamide

C11H14ClNO — CID 141280601

IUPAC3-chloro-4-methyl-2-propylbenzamide
SMILESCCCc1c(C(N)=O)ccc(C)c1Cl
InChIInChI=1S/C11H14ClNO/c1-3-4-8-9(11(13)14)6-5-7(2)10(8)12/h5-6H,3-4H2,1-2H3,(H2,13,14)
InChIKeyOZQBBOZAJMNSKM-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.70
Rot. Bonds3

About 3-chloro-4-methyl-2-propylbenzamide

3-chloro-4-methyl-2-propylbenzamide (PubChem CID 141280601) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 3-chloro-4-methyl-2-propylbenzamide.

Molecular Properties

Compound Name3-chloro-4-methyl-2-propylbenzamide
PubChem CID141280601
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name3-chloro-4-methyl-2-propylbenzamide
SMILESCCCc1c(C(N)=O)ccc(C)c1Cl
InChIInChI=1S/C11H14ClNO/c1-3-4-8-9(11(13)14)6-5-7(2)10(8)12/h5-6H,3-4H2,1-2H3,(H2,13,14)
InChIKeyOZQBBOZAJMNSKM-UHFFFAOYSA-N
XLogP2.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-2-propylbenzamide?
The IUPAC name of 3-chloro-4-methyl-2-propylbenzamide (CID 141280601) is 3-chloro-4-methyl-2-propylbenzamide.
What is the SMILES notation for 3-chloro-4-methyl-2-propylbenzamide?
The canonical SMILES for 3-chloro-4-methyl-2-propylbenzamide is CCCc1c(C(N)=O)ccc(C)c1Cl.
What is the InChIKey of 3-chloro-4-methyl-2-propylbenzamide?
The InChIKey is OZQBBOZAJMNSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-3-4-8-9(11(13)14)6-5-7(2)10(8)12/h5-6H,3-4H2,1-2H3,(H2,13,14).
What are the key properties of 3-chloro-4-methyl-2-propylbenzamide?
3-chloro-4-methyl-2-propylbenzamide has a molecular weight of 211.69 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-2-propylbenzamide is sourced from PubChem (CID 141280601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).