N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide

C21H23FN4O2 — CID 87014714

IUPACN-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
SMILESCN(CC(=O)NCCOc1cccc(F)c1)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H23FN4O2/c1-25(14-17-13-24-26(15-17)19-7-3-2-4-8-19)16-21(27)23-10-11-28-20-9-5-6-18(22)12-20/h2-9,12-13,15H,10-11,14,16H2,1H3,(H,23,27)
InChIKeyFHKILJQCOHPONQ-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.64
Rot. Bonds9

About N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide

N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide (PubChem CID 87014714) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
PubChem CID87014714
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC NameN-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
SMILESCN(CC(=O)NCCOc1cccc(F)c1)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H23FN4O2/c1-25(14-17-13-24-26(15-17)19-7-3-2-4-8-19)16-21(27)23-10-11-28-20-9-5-6-18(22)12-20/h2-9,12-13,15H,10-11,14,16H2,1H3,(H,23,27)
InChIKeyFHKILJQCOHPONQ-UHFFFAOYSA-N
XLogP2.64
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 34152876
N-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 35057961
N-(2,6-dimethylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 17416541
N-[2-(3-fluorophenoxy)ethyl]-2-phenylacetamide
CID 110483020
N-methyl-2-[methyl(2-phenoxyethyl)amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166222
N-(4-methylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 17416540
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 87014722
2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 87018108
N-[2-(4-methylphenoxy)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 38449360
3-(3,4-dimethylphenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 47022940
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271
N-methyl-3-(2-methylpropoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8961836

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide?
The IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide (CID 87014714) is N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide.
What is the SMILES notation for N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide?
The canonical SMILES for N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide is CN(CC(=O)NCCOc1cccc(F)c1)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide?
The InChIKey is FHKILJQCOHPONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-25(14-17-13-24-26(15-17)19-7-3-2-4-8-19)16-21(27)23-10-11-28-20-9-5-6-18(22)12-20/h2-9,12-13,15H,10-11,14,16H2,1H3,(H,23,27).
What are the key properties of N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide?
N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide has a molecular weight of 382.44 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 87014714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).