2-chloro-6-fluoro-N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]benzamide

C18H17ClFN3O3 — CID 71797368

IUPAC2-chloro-6-fluoro-N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]benzamide
SMILESCOCCn1nc(CNC(=O)c2c(F)cccc2Cl)cc1-c1ccco1
InChIInChI=1S/C18H17ClFN3O3/c1-25-9-7-23-15(16-6-3-8-26-16)10-12(22-23)11-21-18(24)17-13(19)4-2-5-14(17)20/h2-6,8,10H,7,9,11H2,1H3,(H,21,24)
InChIKeyYKSDLVVOOUOOBY-UHFFFAOYSA-N
MW377.80 g/mol
LogP3.51
Rot. Bonds7

About 2-chloro-6-fluoro-N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]benzamide

2-chloro-6-fluoro-N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]benzamide (PubChem CID 71797368) has the molecular formula C18H17ClFN3O3 and a molecular weight of 377.80 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]benzamide
PubChem CID71797368
Molecular FormulaC18H17ClFN3O3
Molecular Weight377.80 g/mol
Exact Mass377.09
IUPAC Name2-chloro-6-fluoro-N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]benzamide
SMILESCOCCn1nc(CNC(=O)c2c(F)cccc2Cl)cc1-c1ccco1
InChIInChI=1S/C18H17ClFN3O3/c1-25-9-7-23-15(16-6-3-8-26-16)10-12(22-23)11-21-18(24)17-13(19)4-2-5-14(17)20/h2-6,8,10H,7,9,11H2,1H3,(H,21,24)
InChIKeyYKSDLVVOOUOOBY-UHFFFAOYSA-N
XLogP3.51
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.80
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-6-fluoro-N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]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 2-chloro-6-fluoro-N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]benzamide (CID 71797368) is 2-chloro-6-fluoro-N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]benzamide is COCCn1nc(CNC(=O)c2c(F)cccc2Cl)cc1-c1ccco1.
What is the InChIKey of 2-chloro-6-fluoro-N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]benzamide?
The InChIKey is YKSDLVVOOUOOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O3/c1-25-9-7-23-15(16-6-3-8-26-16)10-12(22-23)11-21-18(24)17-13(19)4-2-5-14(17)20/h2-6,8,10H,7,9,11H2,1H3,(H,21,24).
What are the key properties of 2-chloro-6-fluoro-N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]benzamide?
2-chloro-6-fluoro-N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]benzamide has a molecular weight of 377.80 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]benzamide is sourced from PubChem (CID 71797368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).