2-[4-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]pyrazol-1-yl]acetamide

C20H17ClN4O4 — CID 55848282

IUPAC2-[4-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cn1
InChIInChI=1S/C20H17ClN4O4/c21-15-5-1-13(2-6-15)20(28)14-3-7-17(8-4-14)29-12-19(27)24-16-9-23-25(10-16)11-18(22)26/h1-10H,11-12H2,(H2,22,26)(H,24,27)
InChIKeyGOGALTVELYDXHR-UHFFFAOYSA-N
MW412.83 g/mol
LogP2.27
Rot. Bonds8

About 2-[4-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]pyrazol-1-yl]acetamide

2-[4-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]pyrazol-1-yl]acetamide (PubChem CID 55848282) has the molecular formula C20H17ClN4O4 and a molecular weight of 412.83 g/mol. Its IUPAC name is 2-[4-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]pyrazol-1-yl]acetamide
PubChem CID55848282
Molecular FormulaC20H17ClN4O4
Molecular Weight412.83 g/mol
Exact Mass412.09
IUPAC Name2-[4-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cn1
InChIInChI=1S/C20H17ClN4O4/c21-15-5-1-13(2-6-15)20(28)14-3-7-17(8-4-14)29-12-19(27)24-16-9-23-25(10-16)11-18(22)26/h1-10H,11-12H2,(H2,22,26)(H,24,27)
InChIKeyGOGALTVELYDXHR-UHFFFAOYSA-N
XLogP2.27
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.83
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide
CID 19397606
2-(4-chlorophenoxy)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129354441
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-naphthalen-2-yloxyacetamide
CID 19407577
methyl 2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]pyrazol-1-yl]methyl]benzoate
CID 19400604
N-(1-benzylpyrazol-4-yl)-2-(4-iodophenoxy)acetamide
CID 60552699
2-[4-(aminomethyl)phenoxy]-N-(1-ethylpyrazol-4-yl)acetamide
CID 43543203
N-(1-benzylpyrazol-4-yl)-2-(4-bromophenoxy)acetamide
CID 55947961
4-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzamide
CID 43705831
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-chloropyridine-4-carboxamide
CID 47287788
2-(4-chlorophenoxy)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283314
2-(4-chlorophenoxy)-N-pyridin-4-ylacetamide;hydrochloride
CID 163329233
2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]pyrazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 49214142

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]pyrazol-1-yl]acetamide (CID 55848282) is 2-[4-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]pyrazol-1-yl]acetamide is NC(=O)Cn1cc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cn1.
What is the InChIKey of 2-[4-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]pyrazol-1-yl]acetamide?
The InChIKey is GOGALTVELYDXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O4/c21-15-5-1-13(2-6-15)20(28)14-3-7-17(8-4-14)29-12-19(27)24-16-9-23-25(10-16)11-18(22)26/h1-10H,11-12H2,(H2,22,26)(H,24,27).
What are the key properties of 2-[4-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]pyrazol-1-yl]acetamide?
2-[4-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]pyrazol-1-yl]acetamide has a molecular weight of 412.83 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 55848282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).