N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C18H23ClFN3O — CID 50975668

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCCN(Cc1c(F)cccc1Cl)C(=O)CCc1c(C)nn(C)c1C
InChIInChI=1S/C18H23ClFN3O/c1-5-23(11-15-16(19)7-6-8-17(15)20)18(24)10-9-14-12(2)21-22(4)13(14)3/h6-8H,5,9-11H2,1-4H3
InChIKeyZSCANLKZKMEFOW-UHFFFAOYSA-N
MW351.85 g/mol
LogP3.81
Rot. Bonds6

About N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 50975668) has the molecular formula C18H23ClFN3O and a molecular weight of 351.85 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID50975668
Molecular FormulaC18H23ClFN3O
Molecular Weight351.85 g/mol
Exact Mass351.15
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCCN(Cc1c(F)cccc1Cl)C(=O)CCc1c(C)nn(C)c1C
InChIInChI=1S/C18H23ClFN3O/c1-5-23(11-15-16(19)7-6-8-17(15)20)18(24)10-9-14-12(2)21-22(4)13(14)3/h6-8H,5,9-11H2,1-4H3
InChIKeyZSCANLKZKMEFOW-UHFFFAOYSA-N
XLogP3.81
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.85
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 50975668) is N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is CCN(Cc1c(F)cccc1Cl)C(=O)CCc1c(C)nn(C)c1C.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is ZSCANLKZKMEFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClFN3O/c1-5-23(11-15-16(19)7-6-8-17(15)20)18(24)10-9-14-12(2)21-22(4)13(14)3/h6-8H,5,9-11H2,1-4H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 351.85 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 50975668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).