N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)acetamide

C14H15ClFN3O2 — CID 86800515

IUPACN-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(CC(=O)NC(CO)c2ccc(Cl)c(F)c2)cn1
InChIInChI=1S/C14H15ClFN3O2/c1-19-7-9(6-17-19)4-14(21)18-13(8-20)10-2-3-11(15)12(16)5-10/h2-3,5-7,13,20H,4,8H2,1H3,(H,18,21)
InChIKeyRTOBWJKSTVYJLJ-UHFFFAOYSA-N
MW311.74 g/mol
LogP1.60
Rot. Bonds5

About N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)acetamide

N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 86800515) has the molecular formula C14H15ClFN3O2 and a molecular weight of 311.74 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID86800515
Molecular FormulaC14H15ClFN3O2
Molecular Weight311.74 g/mol
Exact Mass311.08
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(CC(=O)NC(CO)c2ccc(Cl)c(F)c2)cn1
InChIInChI=1S/C14H15ClFN3O2/c1-19-7-9(6-17-19)4-14(21)18-13(8-20)10-2-3-11(15)12(16)5-10/h2-3,5-7,13,20H,4,8H2,1H3,(H,18,21)
InChIKeyRTOBWJKSTVYJLJ-UHFFFAOYSA-N
XLogP1.60
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)acetamide (CID 86800515) is N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)acetamide is Cn1cc(CC(=O)NC(CO)c2ccc(Cl)c(F)c2)cn1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is RTOBWJKSTVYJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O2/c1-19-7-9(6-17-19)4-14(21)18-13(8-20)10-2-3-11(15)12(16)5-10/h2-3,5-7,13,20H,4,8H2,1H3,(H,18,21).
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)acetamide?
N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 311.74 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 86800515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).