2-(4-chlorophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide

C24H27ClN4O4 — CID 68850357

IUPAC2-(4-chlorophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide
SMILESCn1nccc1-c1cc(NC(=O)COc2ccc(Cl)cc2)ccc1OCCN1CCOCC1
InChIInChI=1S/C24H27ClN4O4/c1-28-22(8-9-26-28)21-16-19(27-24(30)17-33-20-5-2-18(25)3-6-20)4-7-23(21)32-15-12-29-10-13-31-14-11-29/h2-9,16H,10-15,17H2,1H3,(H,27,30)
InChIKeyKVNMKEZVTDIKJK-UHFFFAOYSA-N
MW470.96 g/mol
LogP3.47
Rot. Bonds9

About 2-(4-chlorophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide

2-(4-chlorophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide (PubChem CID 68850357) has the molecular formula C24H27ClN4O4 and a molecular weight of 470.96 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide
PubChem CID68850357
Molecular FormulaC24H27ClN4O4
Molecular Weight470.96 g/mol
Exact Mass470.17
IUPAC Name2-(4-chlorophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide
SMILESCn1nccc1-c1cc(NC(=O)COc2ccc(Cl)cc2)ccc1OCCN1CCOCC1
InChIInChI=1S/C24H27ClN4O4/c1-28-22(8-9-26-28)21-16-19(27-24(30)17-33-20-5-2-18(25)3-6-20)4-7-23(21)32-15-12-29-10-13-31-14-11-29/h2-9,16H,10-15,17H2,1H3,(H,27,30)
InChIKeyKVNMKEZVTDIKJK-UHFFFAOYSA-N
XLogP3.47
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.96
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 68887718
2-(2-fluorophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide
CID 68849489
N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 24816267
2-(4-cyanophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]acetamide
CID 24816340
2-(4-acetylphenoxy)-N-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide
CID 68887157
2-(2,4-difluorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide
CID 66927857
2,4-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide
CID 46833073
1-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]cyclopropane-1-carboxamide
CID 66927818
ethane;methyl 2-[4-[2-[4-[(4-chlorophenyl)carbamoylamino]-2-(2-methylpyrazol-3-yl)phenoxy]ethyl]piperazin-1-yl]acetate
CID 143232372
tert-butyl N-[1-[2-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-(2-methylpyrazol-3-yl)phenoxy]ethyl]piperidin-4-yl]carbamate
CID 66928617
2-(4-chlorophenoxy)-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]acetamide
CID 666438
N-[3-(2-methylpyrazol-3-yl)-4-[2-(1,3-oxazepan-3-yl)ethoxy]phenyl]acetamide
CID 69370062

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide (CID 68850357) is 2-(4-chlorophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide is Cn1nccc1-c1cc(NC(=O)COc2ccc(Cl)cc2)ccc1OCCN1CCOCC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide?
The InChIKey is KVNMKEZVTDIKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O4/c1-28-22(8-9-26-28)21-16-19(27-24(30)17-33-20-5-2-18(25)3-6-20)4-7-23(21)32-15-12-29-10-13-31-14-11-29/h2-9,16H,10-15,17H2,1H3,(H,27,30).
What are the key properties of 2-(4-chlorophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide?
2-(4-chlorophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide has a molecular weight of 470.96 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide is sourced from PubChem (CID 68850357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).