2-(2-chlorophenoxy)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide

C22H24ClN3O2 — CID 46466389

IUPAC2-(2-chlorophenoxy)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide
SMILESCc1cc(C)n(-c2ccc(CCNC(=O)C(C)Oc3ccccc3Cl)cc2)n1
InChIInChI=1S/C22H24ClN3O2/c1-15-14-16(2)26(25-15)19-10-8-18(9-11-19)12-13-24-22(27)17(3)28-21-7-5-4-6-20(21)23/h4-11,14,17H,12-13H2,1-3H3,(H,24,27)
InChIKeyDPGVMJFYUCEIBM-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.27
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide

2-(2-chlorophenoxy)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide (PubChem CID 46466389) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide
PubChem CID46466389
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name2-(2-chlorophenoxy)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide
SMILESCc1cc(C)n(-c2ccc(CCNC(=O)C(C)Oc3ccccc3Cl)cc2)n1
InChIInChI=1S/C22H24ClN3O2/c1-15-14-16(2)26(25-15)19-10-8-18(9-11-19)12-13-24-22(27)17(3)28-21-7-5-4-6-20(21)23/h4-11,14,17H,12-13H2,1-3H3,(H,24,27)
InChIKeyDPGVMJFYUCEIBM-UHFFFAOYSA-N
XLogP4.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide
CID 55707001
2-(2-chlorophenoxy)-N-(2-pyridin-3-ylethyl)propanamide
CID 46447544
methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 60739964
2-[(2-chloro-3-pyridinyl)oxy]-N-(2-phenylethyl)propanamide
CID 10990375
2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide
CID 115636700
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 55707299
(2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 26529894
(2R)-2-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-2-phenylacetamide
CID 94641301
ethyl 4-[2-(2-chlorophenoxy)propanoylamino]butanoate
CID 60739618
2-(2-chlorophenoxy)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 43058809
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide
CID 110210597
N-[3-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 46476253

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide (CID 46466389) is 2-(2-chlorophenoxy)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide is Cc1cc(C)n(-c2ccc(CCNC(=O)C(C)Oc3ccccc3Cl)cc2)n1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide?
The InChIKey is DPGVMJFYUCEIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-15-14-16(2)26(25-15)19-10-8-18(9-11-19)12-13-24-22(27)17(3)28-21-7-5-4-6-20(21)23/h4-11,14,17H,12-13H2,1-3H3,(H,24,27).
What are the key properties of 2-(2-chlorophenoxy)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide?
2-(2-chlorophenoxy)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide has a molecular weight of 397.91 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide is sourced from PubChem (CID 46466389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).