2-chloro-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide

C11H9ClFN3O — CID 51228899

IUPAC2-chloro-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2c(F)cccc2Cl)n1
InChIInChI=1S/C11H9ClFN3O/c1-16-6-5-9(15-16)14-11(17)10-7(12)3-2-4-8(10)13/h2-6H,1H3,(H,14,15,17)
InChIKeyPADVCGUPZHIGSL-UHFFFAOYSA-N
MW253.66 g/mol
LogP2.46
Rot. Bonds2

About 2-chloro-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide

2-chloro-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 51228899) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID51228899
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC Name2-chloro-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2c(F)cccc2Cl)n1
InChIInChI=1S/C11H9ClFN3O/c1-16-6-5-9(15-16)14-11(17)10-7(12)3-2-4-8(10)13/h2-6H,1H3,(H,14,15,17)
InChIKeyPADVCGUPZHIGSL-UHFFFAOYSA-N
XLogP2.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-bromo-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide
CID 115678259
2-chloro-6-fluoro-N-pyridin-2-ylbenzamide
CID 47142485
2-chloro-6-fluoro-N-(4-fluoro-1-methylindazol-3-yl)benzamide
CID 2742954
2-chloro-N-(6-chloropyrazin-2-yl)-6-fluorobenzamide
CID 113456731
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 71938716
N-(5-amino-6-methyl-2-pyridinyl)-2-chloro-6-fluorobenzamide
CID 82330961
2-(2-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide
CID 16622031
1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(1-methylpyrazol-3-yl)thiourea
CID 19401629
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2,6-dimethoxybenzamide
CID 19285747
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113049303

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide (CID 51228899) is 2-chloro-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide is Cn1ccc(NC(=O)c2c(F)cccc2Cl)n1.
What is the InChIKey of 2-chloro-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is PADVCGUPZHIGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/c1-16-6-5-9(15-16)14-11(17)10-7(12)3-2-4-8(10)13/h2-6H,1H3,(H,14,15,17).
What are the key properties of 2-chloro-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide?
2-chloro-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 253.66 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 51228899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).