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

C11H9ClFN3O — CID 16622167

IUPAC4-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2ccc(Cl)cc2F)n1
InChIInChI=1S/C11H9ClFN3O/c1-16-5-4-10(15-16)14-11(17)8-3-2-7(12)6-9(8)13/h2-6H,1H3,(H,14,15,17)
InChIKeyBDDHZUMMGDONSF-UHFFFAOYSA-N
MW253.66 g/mol
LogP2.46
Rot. Bonds2

About 4-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzamide

4-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 16622167) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID16622167
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC Name4-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2ccc(Cl)cc2F)n1
InChIInChI=1S/C11H9ClFN3O/c1-16-5-4-10(15-16)14-11(17)8-3-2-7(12)6-9(8)13/h2-6H,1H3,(H,14,15,17)
InChIKeyBDDHZUMMGDONSF-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzamide (CID 16622167) is 4-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzamide is Cn1ccc(NC(=O)c2ccc(Cl)cc2F)n1.
What is the InChIKey of 4-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is BDDHZUMMGDONSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/c1-16-5-4-10(15-16)14-11(17)8-3-2-7(12)6-9(8)13/h2-6H,1H3,(H,14,15,17).
What are the key properties of 4-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzamide?
4-chloro-2-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 4-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 16622167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).