3-chloro-5-fluoro-2-hydroxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]benzamide

C16H19ClFN3O2 — CID 75384366

IUPAC3-chloro-5-fluoro-2-hydroxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]benzamide
SMILESCC(C)c1nn(C)cc1CN(C)C(=O)c1cc(F)cc(Cl)c1O
InChIInChI=1S/C16H19ClFN3O2/c1-9(2)14-10(8-21(4)19-14)7-20(3)16(23)12-5-11(18)6-13(17)15(12)22/h5-6,8-9,22H,7H2,1-4H3
InChIKeyJHYPXFNWFRWSOP-UHFFFAOYSA-N
MW339.80 g/mol
LogP3.31
Rot. Bonds4

About 3-chloro-5-fluoro-2-hydroxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]benzamide

3-chloro-5-fluoro-2-hydroxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]benzamide (PubChem CID 75384366) has the molecular formula C16H19ClFN3O2 and a molecular weight of 339.80 g/mol. Its IUPAC name is 3-chloro-5-fluoro-2-hydroxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-5-fluoro-2-hydroxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]benzamide
PubChem CID75384366
Molecular FormulaC16H19ClFN3O2
Molecular Weight339.80 g/mol
Exact Mass339.11
IUPAC Name3-chloro-5-fluoro-2-hydroxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]benzamide
SMILESCC(C)c1nn(C)cc1CN(C)C(=O)c1cc(F)cc(Cl)c1O
InChIInChI=1S/C16H19ClFN3O2/c1-9(2)14-10(8-21(4)19-14)7-20(3)16(23)12-5-11(18)6-13(17)15(12)22/h5-6,8-9,22H,7H2,1-4H3
InChIKeyJHYPXFNWFRWSOP-UHFFFAOYSA-N
XLogP3.31
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-2-hydroxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3-chloro-5-fluoro-2-hydroxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]benzamide (CID 75384366) is 3-chloro-5-fluoro-2-hydroxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-5-fluoro-2-hydroxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-5-fluoro-2-hydroxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]benzamide is CC(C)c1nn(C)cc1CN(C)C(=O)c1cc(F)cc(Cl)c1O.
What is the InChIKey of 3-chloro-5-fluoro-2-hydroxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]benzamide?
The InChIKey is JHYPXFNWFRWSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3O2/c1-9(2)14-10(8-21(4)19-14)7-20(3)16(23)12-5-11(18)6-13(17)15(12)22/h5-6,8-9,22H,7H2,1-4H3.
What are the key properties of 3-chloro-5-fluoro-2-hydroxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]benzamide?
3-chloro-5-fluoro-2-hydroxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]benzamide has a molecular weight of 339.80 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-2-hydroxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 75384366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).