4-chloro-2-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide

C13H13ClFN3O — CID 47045584

IUPAC4-chloro-2-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCn1cc(CCNC(=O)c2ccc(Cl)cc2F)cn1
InChIInChI=1S/C13H13ClFN3O/c1-18-8-9(7-17-18)4-5-16-13(19)11-3-2-10(14)6-12(11)15/h2-3,6-8H,4-5H2,1H3,(H,16,19)
InChIKeyRJPANLLNVWLBKM-UHFFFAOYSA-N
MW281.72 g/mol
LogP2.19
Rot. Bonds4

About 4-chloro-2-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide

4-chloro-2-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide (PubChem CID 47045584) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
PubChem CID47045584
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC Name4-chloro-2-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCn1cc(CCNC(=O)c2ccc(Cl)cc2F)cn1
InChIInChI=1S/C13H13ClFN3O/c1-18-8-9(7-17-18)4-5-16-13(19)11-3-2-10(14)6-12(11)15/h2-3,6-8H,4-5H2,1H3,(H,16,19)
InChIKeyRJPANLLNVWLBKM-UHFFFAOYSA-N
XLogP2.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 52.19
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-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide (CID 47045584) is 4-chloro-2-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide is Cn1cc(CCNC(=O)c2ccc(Cl)cc2F)cn1.
What is the InChIKey of 4-chloro-2-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is RJPANLLNVWLBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c1-18-8-9(7-17-18)4-5-16-13(19)11-3-2-10(14)6-12(11)15/h2-3,6-8H,4-5H2,1H3,(H,16,19).
What are the key properties of 4-chloro-2-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
4-chloro-2-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 281.72 g/mol, XLogP of 2.19, 4 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-[2-(1-methylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 47045584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).