N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-propylacetamide

C22H23Cl2N3O3 — CID 78872872

IUPACN-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)Cc1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C22H23Cl2N3O3/c1-3-8-27(13-21(28)26-20-6-4-15(23)10-18(20)24)22(29)9-14-12-25-19-7-5-16(30-2)11-17(14)19/h4-7,10-12,25H,3,8-9,13H2,1-2H3,(H,26,28)
InChIKeyKKTKFGSDNDPNHT-UHFFFAOYSA-N
MW448.35 g/mol
LogP4.90
Rot. Bonds8

About N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-propylacetamide

N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-propylacetamide (PubChem CID 78872872) has the molecular formula C22H23Cl2N3O3 and a molecular weight of 448.35 g/mol. Its IUPAC name is N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-propylacetamide
PubChem CID78872872
Molecular FormulaC22H23Cl2N3O3
Molecular Weight448.35 g/mol
Exact Mass447.11
IUPAC NameN-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)Cc1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C22H23Cl2N3O3/c1-3-8-27(13-21(28)26-20-6-4-15(23)10-18(20)24)22(29)9-14-12-25-19-7-5-16(30-2)11-17(14)19/h4-7,10-12,25H,3,8-9,13H2,1-2H3,(H,26,28)
InChIKeyKKTKFGSDNDPNHT-UHFFFAOYSA-N
XLogP4.90
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propylacetamide
CID 31185288
N,N-diethyl-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209629
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 2658488
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-propylacetamide
CID 52892061
methyl 4-chloro-3-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate
CID 113209690
2-(1H-indol-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 25161690
2-(cyclopropylmethylamino)-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylacetamide
CID 119683191
N-(2,6-dichlorophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209712
4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 27793697
(2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide
CID 119267913
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-hydroxyphenyl)-N-propylacetamide
CID 78806558
methyl 5-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylcarbamoyl]thiophene-2-carboxylate
CID 55822669

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-propylacetamide?
The IUPAC name of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-propylacetamide (CID 78872872) is N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-propylacetamide.
What is the SMILES notation for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-propylacetamide?
The canonical SMILES for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-propylacetamide is CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)Cc1c[nH]c2ccc(OC)cc12.
What is the InChIKey of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-propylacetamide?
The InChIKey is KKTKFGSDNDPNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O3/c1-3-8-27(13-21(28)26-20-6-4-15(23)10-18(20)24)22(29)9-14-12-25-19-7-5-16(30-2)11-17(14)19/h4-7,10-12,25H,3,8-9,13H2,1-2H3,(H,26,28).
What are the key properties of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-propylacetamide?
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-propylacetamide has a molecular weight of 448.35 g/mol, XLogP of 4.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-propylacetamide is sourced from PubChem (CID 78872872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).