2-(4-chlorophenoxy)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]acetamide

C18H14Cl3N3O2 — CID 1017922

IUPAC2-(4-chlorophenoxy)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cnn(Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C18H14Cl3N3O2/c19-12-4-6-14(7-5-12)26-11-18(25)23-13-8-22-24(9-13)10-15-16(20)2-1-3-17(15)21/h1-9H,10-11H2,(H,23,25)
InChIKeyDXAFGAUCVQWGFJ-UHFFFAOYSA-N
MW410.69 g/mol
LogP4.91
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]acetamide

2-(4-chlorophenoxy)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]acetamide (PubChem CID 1017922) has the molecular formula C18H14Cl3N3O2 and a molecular weight of 410.69 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]acetamide
PubChem CID1017922
Molecular FormulaC18H14Cl3N3O2
Molecular Weight410.69 g/mol
Exact Mass409.02
IUPAC Name2-(4-chlorophenoxy)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cnn(Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C18H14Cl3N3O2/c19-12-4-6-14(7-5-12)26-11-18(25)23-13-8-22-24(9-13)10-15-16(20)2-1-3-17(15)21/h1-9H,10-11H2,(H,23,25)
InChIKeyDXAFGAUCVQWGFJ-UHFFFAOYSA-N
XLogP4.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.69
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-1H-pyrazol-4-yl)-2-(2-chlorophenoxy)acetamide
CID 832073
4-(4-{[(4-chloro-3-methylphenoxy)acetyl]amino}-1H-pyrazol-1-yl)butanoic acid
CID 1509163
N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-2-phenoxyacetamide
CID 1224540
(E)-N-(2-aminophenyl)-3-(1-(2-(3-chloro-5-fluorophenoxy)ethyl)-1H-pyrazol-4-yl)acrylamide
CID 68294845
4-[4-[2-(4-Chloro-2-methylphenoxy)propanoylamino]pyrazol-1-yl]butanoic acid
CID 5303244
2-(2,4-dichlorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide
CID 31921202
2-(3-chlorophenoxy)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]propanamide
CID 49088847
2-(4-Chlorophenoxy)-1-{4-[1-(3-fluorophenyl)-1H-pyrazol-4-YL]piperidin-1-YL}ethan-1-one
CID 71842281
N-{1-[(2-chlorophenyl)methyl]pyrazol-3-yl}-2-phenoxyacetamide
CID 5004212
N-((1-cyclopentyl-5-(pyridin-4-yl)-1H-pyrazol-3-yl)methyl)-2-(2,4-dichlorophenoxy)acetamide
CID 71797586
N-(2-(7-chloro-3-oxo-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)ethyl)-2-(1H-pyrazol-1-yl)acetamide
CID 91632329
N-{1-[(S)-perhydro-3-furyl]-4-pyrazolyl}2-(p-chlorophenoxy)-2-methylpropionamide
CID 97428052

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]acetamide (CID 1017922) is 2-(4-chlorophenoxy)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]acetamide is O=C(COc1ccc(Cl)cc1)Nc1cnn(Cc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]acetamide?
The InChIKey is DXAFGAUCVQWGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl3N3O2/c19-12-4-6-14(7-5-12)26-11-18(25)23-13-8-22-24(9-13)10-15-16(20)2-1-3-17(15)21/h1-9H,10-11H2,(H,23,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]acetamide?
2-(4-chlorophenoxy)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]acetamide has a molecular weight of 410.69 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 1017922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).