4-(6-chloroindazol-1-yl)-N-[(4-ethoxyphenyl)methyl]-4-oxobutanamide

C20H20ClN3O3 — CID 22510195

IUPAC4-(6-chloroindazol-1-yl)-N-[(4-ethoxyphenyl)methyl]-4-oxobutanamide
SMILESCCOc1ccc(CNC(=O)CCC(=O)n2ncc3ccc(Cl)cc32)cc1
InChIInChI=1S/C20H20ClN3O3/c1-2-27-17-7-3-14(4-8-17)12-22-19(25)9-10-20(26)24-18-11-16(21)6-5-15(18)13-23-24/h3-8,11,13H,2,9-10,12H2,1H3,(H,22,25)
InChIKeyVTUPSLLGDHBALB-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.83
Rot. Bonds7

About 4-(6-chloroindazol-1-yl)-N-[(4-ethoxyphenyl)methyl]-4-oxobutanamide

4-(6-chloroindazol-1-yl)-N-[(4-ethoxyphenyl)methyl]-4-oxobutanamide (PubChem CID 22510195) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 4-(6-chloroindazol-1-yl)-N-[(4-ethoxyphenyl)methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(6-chloroindazol-1-yl)-N-[(4-ethoxyphenyl)methyl]-4-oxobutanamide
PubChem CID22510195
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name4-(6-chloroindazol-1-yl)-N-[(4-ethoxyphenyl)methyl]-4-oxobutanamide
SMILESCCOc1ccc(CNC(=O)CCC(=O)n2ncc3ccc(Cl)cc32)cc1
InChIInChI=1S/C20H20ClN3O3/c1-2-27-17-7-3-14(4-8-17)12-22-19(25)9-10-20(26)24-18-11-16(21)6-5-15(18)13-23-24/h3-8,11,13H,2,9-10,12H2,1H3,(H,22,25)
InChIKeyVTUPSLLGDHBALB-UHFFFAOYSA-N
XLogP3.83
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-chloroindazol-1-yl)-4-oxo-N-propylbutanamide
CID 22510166
N-[(4-ethoxyphenyl)methyl]-3-sulfanylpropanamide
CID 115167842
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 27660429
1-[(4-chlorophenyl)methyl]-N-[(3-ethoxyphenyl)methyl]indazole-6-carboxamide
CID 53034345
N-[(4-ethoxyphenyl)methyl]-3-oxobutanamide
CID 115176377
2-(6-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
CID 22509892
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
N-(2-amino-5-chlorophenyl)-2-(4-ethoxyphenyl)acetamide;hydrate
CID 21154135
N-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119714333
N-[(4-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109234037
2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(4-ethoxyphenyl)methyl]acetamide
CID 20956251

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloroindazol-1-yl)-N-[(4-ethoxyphenyl)methyl]-4-oxobutanamide?
The IUPAC name of 4-(6-chloroindazol-1-yl)-N-[(4-ethoxyphenyl)methyl]-4-oxobutanamide (CID 22510195) is 4-(6-chloroindazol-1-yl)-N-[(4-ethoxyphenyl)methyl]-4-oxobutanamide.
What is the SMILES notation for 4-(6-chloroindazol-1-yl)-N-[(4-ethoxyphenyl)methyl]-4-oxobutanamide?
The canonical SMILES for 4-(6-chloroindazol-1-yl)-N-[(4-ethoxyphenyl)methyl]-4-oxobutanamide is CCOc1ccc(CNC(=O)CCC(=O)n2ncc3ccc(Cl)cc32)cc1.
What is the InChIKey of 4-(6-chloroindazol-1-yl)-N-[(4-ethoxyphenyl)methyl]-4-oxobutanamide?
The InChIKey is VTUPSLLGDHBALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-2-27-17-7-3-14(4-8-17)12-22-19(25)9-10-20(26)24-18-11-16(21)6-5-15(18)13-23-24/h3-8,11,13H,2,9-10,12H2,1H3,(H,22,25).
What are the key properties of 4-(6-chloroindazol-1-yl)-N-[(4-ethoxyphenyl)methyl]-4-oxobutanamide?
4-(6-chloroindazol-1-yl)-N-[(4-ethoxyphenyl)methyl]-4-oxobutanamide has a molecular weight of 385.85 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloroindazol-1-yl)-N-[(4-ethoxyphenyl)methyl]-4-oxobutanamide is sourced from PubChem (CID 22510195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).