3-chloro-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluoro-2-hydroxybenzamide

C14H15ClFN3O2 — CID 71914622

IUPAC3-chloro-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluoro-2-hydroxybenzamide
SMILESCc1c(CCNC(=O)c2cc(F)cc(Cl)c2O)cnn1C
InChIInChI=1S/C14H15ClFN3O2/c1-8-9(7-18-19(8)2)3-4-17-14(21)11-5-10(16)6-12(15)13(11)20/h5-7,20H,3-4H2,1-2H3,(H,17,21)
InChIKeyBXWBDLMXYMDSPV-UHFFFAOYSA-N
MW311.74 g/mol
LogP2.20
Rot. Bonds4

About 3-chloro-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluoro-2-hydroxybenzamide

3-chloro-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluoro-2-hydroxybenzamide (PubChem CID 71914622) has the molecular formula C14H15ClFN3O2 and a molecular weight of 311.74 g/mol. Its IUPAC name is 3-chloro-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluoro-2-hydroxybenzamide
PubChem CID71914622
Molecular FormulaC14H15ClFN3O2
Molecular Weight311.74 g/mol
Exact Mass311.08
IUPAC Name3-chloro-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluoro-2-hydroxybenzamide
SMILESCc1c(CCNC(=O)c2cc(F)cc(Cl)c2O)cnn1C
InChIInChI=1S/C14H15ClFN3O2/c1-8-9(7-18-19(8)2)3-4-17-14(21)11-5-10(16)6-12(15)13(11)20/h5-7,20H,3-4H2,1-2H3,(H,17,21)
InChIKeyBXWBDLMXYMDSPV-UHFFFAOYSA-N
XLogP2.20
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluoro-2-hydroxybenzamide?
The IUPAC name of 3-chloro-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluoro-2-hydroxybenzamide (CID 71914622) is 3-chloro-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluoro-2-hydroxybenzamide is Cc1c(CCNC(=O)c2cc(F)cc(Cl)c2O)cnn1C.
What is the InChIKey of 3-chloro-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluoro-2-hydroxybenzamide?
The InChIKey is BXWBDLMXYMDSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O2/c1-8-9(7-18-19(8)2)3-4-17-14(21)11-5-10(16)6-12(15)13(11)20/h5-7,20H,3-4H2,1-2H3,(H,17,21).
What are the key properties of 3-chloro-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluoro-2-hydroxybenzamide?
3-chloro-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluoro-2-hydroxybenzamide has a molecular weight of 311.74 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 71914622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).