2-chloro-N-ethyl-4-fluoro-6-methyl-3-propan-2-yloxybenzamide

C13H17ClFNO2 — CID 166657301

IUPAC2-chloro-N-ethyl-4-fluoro-6-methyl-3-propan-2-yloxybenzamide
SMILESCCNC(=O)c1c(C)cc(F)c(OC(C)C)c1Cl
InChIInChI=1S/C13H17ClFNO2/c1-5-16-13(17)10-8(4)6-9(15)12(11(10)14)18-7(2)3/h6-7H,5H2,1-4H3,(H,16,17)
InChIKeyJBRROQDJBDWHTI-UHFFFAOYSA-N
MW273.74 g/mol
LogP3.32
Rot. Bonds4

About 2-chloro-N-ethyl-4-fluoro-6-methyl-3-propan-2-yloxybenzamide

2-chloro-N-ethyl-4-fluoro-6-methyl-3-propan-2-yloxybenzamide (PubChem CID 166657301) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.74 g/mol. Its IUPAC name is 2-chloro-N-ethyl-4-fluoro-6-methyl-3-propan-2-yloxybenzamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-4-fluoro-6-methyl-3-propan-2-yloxybenzamide
PubChem CID166657301
Molecular FormulaC13H17ClFNO2
Molecular Weight273.74 g/mol
Exact Mass273.09
IUPAC Name2-chloro-N-ethyl-4-fluoro-6-methyl-3-propan-2-yloxybenzamide
SMILESCCNC(=O)c1c(C)cc(F)c(OC(C)C)c1Cl
InChIInChI=1S/C13H17ClFNO2/c1-5-16-13(17)10-8(4)6-9(15)12(11(10)14)18-7(2)3/h6-7H,5H2,1-4H3,(H,16,17)
InChIKeyJBRROQDJBDWHTI-UHFFFAOYSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-4-fluoro-6-methyl-3-propan-2-yloxybenzamide?
The IUPAC name of 2-chloro-N-ethyl-4-fluoro-6-methyl-3-propan-2-yloxybenzamide (CID 166657301) is 2-chloro-N-ethyl-4-fluoro-6-methyl-3-propan-2-yloxybenzamide.
What is the SMILES notation for 2-chloro-N-ethyl-4-fluoro-6-methyl-3-propan-2-yloxybenzamide?
The canonical SMILES for 2-chloro-N-ethyl-4-fluoro-6-methyl-3-propan-2-yloxybenzamide is CCNC(=O)c1c(C)cc(F)c(OC(C)C)c1Cl.
What is the InChIKey of 2-chloro-N-ethyl-4-fluoro-6-methyl-3-propan-2-yloxybenzamide?
The InChIKey is JBRROQDJBDWHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c1-5-16-13(17)10-8(4)6-9(15)12(11(10)14)18-7(2)3/h6-7H,5H2,1-4H3,(H,16,17).
What are the key properties of 2-chloro-N-ethyl-4-fluoro-6-methyl-3-propan-2-yloxybenzamide?
2-chloro-N-ethyl-4-fluoro-6-methyl-3-propan-2-yloxybenzamide has a molecular weight of 273.74 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-4-fluoro-6-methyl-3-propan-2-yloxybenzamide is sourced from PubChem (CID 166657301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).