N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[1-(2-fluorophenyl)ethylamino]acetamide

C20H20ClFN4O — CID 18127011

IUPACN-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[1-(2-fluorophenyl)ethylamino]acetamide
SMILESCC(NCC(=O)Nc1ccnn1Cc1cccc(Cl)c1)c1ccccc1F
InChIInChI=1S/C20H20ClFN4O/c1-14(17-7-2-3-8-18(17)22)23-12-20(27)25-19-9-10-24-26(19)13-15-5-4-6-16(21)11-15/h2-11,14,23H,12-13H2,1H3,(H,25,27)
InChIKeyJNYMMGYNAOODMT-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.01
Rot. Bonds7

About N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[1-(2-fluorophenyl)ethylamino]acetamide

N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[1-(2-fluorophenyl)ethylamino]acetamide (PubChem CID 18127011) has the molecular formula C20H20ClFN4O and a molecular weight of 386.86 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[1-(2-fluorophenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[1-(2-fluorophenyl)ethylamino]acetamide
PubChem CID18127011
Molecular FormulaC20H20ClFN4O
Molecular Weight386.86 g/mol
Exact Mass386.13
IUPAC NameN-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[1-(2-fluorophenyl)ethylamino]acetamide
SMILESCC(NCC(=O)Nc1ccnn1Cc1cccc(Cl)c1)c1ccccc1F
InChIInChI=1S/C20H20ClFN4O/c1-14(17-7-2-3-8-18(17)22)23-12-20(27)25-19-9-10-24-26(19)13-15-5-4-6-16(21)11-15/h2-11,14,23H,12-13H2,1H3,(H,25,27)
InChIKeyJNYMMGYNAOODMT-UHFFFAOYSA-N
XLogP4.01
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[1-(2-fluorophenyl)ethylamino]acetamide?
The IUPAC name of N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[1-(2-fluorophenyl)ethylamino]acetamide (CID 18127011) is N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[1-(2-fluorophenyl)ethylamino]acetamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[1-(2-fluorophenyl)ethylamino]acetamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[1-(2-fluorophenyl)ethylamino]acetamide is CC(NCC(=O)Nc1ccnn1Cc1cccc(Cl)c1)c1ccccc1F.
What is the InChIKey of N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[1-(2-fluorophenyl)ethylamino]acetamide?
The InChIKey is JNYMMGYNAOODMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O/c1-14(17-7-2-3-8-18(17)22)23-12-20(27)25-19-9-10-24-26(19)13-15-5-4-6-16(21)11-15/h2-11,14,23H,12-13H2,1H3,(H,25,27).
What are the key properties of N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[1-(2-fluorophenyl)ethylamino]acetamide?
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[1-(2-fluorophenyl)ethylamino]acetamide has a molecular weight of 386.86 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[1-(2-fluorophenyl)ethylamino]acetamide is sourced from PubChem (CID 18127011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).