2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide

C14H15ClFN3O2 — CID 111519861

IUPAC2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
SMILESCn1cc(C(C)(O)CNC(=O)c2c(F)cccc2Cl)cn1
InChIInChI=1S/C14H15ClFN3O2/c1-14(21,9-6-18-19(2)7-9)8-17-13(20)12-10(15)4-3-5-11(12)16/h3-7,21H,8H2,1-2H3,(H,17,20)
InChIKeyAJRVNIVVIUQKPQ-UHFFFAOYSA-N
MW311.74 g/mol
LogP1.85
Rot. Bonds4

About 2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide

2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide (PubChem CID 111519861) has the molecular formula C14H15ClFN3O2 and a molecular weight of 311.74 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
PubChem CID111519861
Molecular FormulaC14H15ClFN3O2
Molecular Weight311.74 g/mol
Exact Mass311.08
IUPAC Name2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
SMILESCn1cc(C(C)(O)CNC(=O)c2c(F)cccc2Cl)cn1
InChIInChI=1S/C14H15ClFN3O2/c1-14(21,9-6-18-19(2)7-9)8-17-13(20)12-10(15)4-3-5-11(12)16/h3-7,21H,8H2,1-2H3,(H,17,20)
InChIKeyAJRVNIVVIUQKPQ-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458799
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,3-dimethylbenzamide
CID 111458743
5-fluoro-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111664836
2,5-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]thiophene-3-carboxamide
CID 111458654
3-(2-chlorophenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]but-2-enamide
CID 111458486
3-[(2-chloro-6-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172745
2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide
CID 52992747
1-(2-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111458897
3-[(2-chloro-6-fluorobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81367390
4-bromo-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458599
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
CID 111458807
1-(3-chlorophenyl)-3-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 96508358

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide (CID 111519861) is 2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide is Cn1cc(C(C)(O)CNC(=O)c2c(F)cccc2Cl)cn1.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide?
The InChIKey is AJRVNIVVIUQKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O2/c1-14(21,9-6-18-19(2)7-9)8-17-13(20)12-10(15)4-3-5-11(12)16/h3-7,21H,8H2,1-2H3,(H,17,20).
What are the key properties of 2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide?
2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide has a molecular weight of 311.74 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 111519861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).