N-[2-(4-chlorophenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide

C21H22ClN3O2 — CID 22510255

IUPACN-[2-(4-chlorophenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide
SMILESCc1ccc2c(cnn2C(=O)CCCC(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H22ClN3O2/c1-15-5-10-19-17(13-15)14-24-25(19)21(27)4-2-3-20(26)23-12-11-16-6-8-18(22)9-7-16/h5-10,13-14H,2-4,11-12H2,1H3,(H,23,26)
InChIKeyHFCDQGXHMUFPAG-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.17
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide

N-[2-(4-chlorophenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide (PubChem CID 22510255) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide
PubChem CID22510255
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide
SMILESCc1ccc2c(cnn2C(=O)CCCC(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H22ClN3O2/c1-15-5-10-19-17(13-15)14-24-25(19)21(27)4-2-3-20(26)23-12-11-16-6-8-18(22)9-7-16/h5-10,13-14H,2-4,11-12H2,1H3,(H,23,26)
InChIKeyHFCDQGXHMUFPAG-UHFFFAOYSA-N
XLogP4.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide
CID 22510411
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CID 22509911
4-(6-chloroindazol-1-yl)-4-oxo-N-propylbutanamide
CID 22510166
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 61259854
N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 2608525
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019936
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide
CID 82110151
2-(2-chloro-5-methylphenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2677051
N-[2-(4-chlorophenyl)ethyl]-N'-[2-(diethylamino)ethyl]pentanediamide
CID 3939091
N-[2-(4-chlorophenyl)ethyl]-4-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 46360101
N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dimethylanilino)acetamide
CID 109002945

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide (CID 22510255) is N-[2-(4-chlorophenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide is Cc1ccc2c(cnn2C(=O)CCCC(=O)NCCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide?
The InChIKey is HFCDQGXHMUFPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-15-5-10-19-17(13-15)14-24-25(19)21(27)4-2-3-20(26)23-12-11-16-6-8-18(22)9-7-16/h5-10,13-14H,2-4,11-12H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide?
N-[2-(4-chlorophenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide has a molecular weight of 383.88 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide is sourced from PubChem (CID 22510255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).