2-(4-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-1H-indole-5-carboxamide

C26H26ClN3O3 — CID 44532787

IUPAC2-(4-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-1H-indole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3[nH]c(-c4ccc(Cl)cc4)cc3c2)cc1OCCN(C)C
InChIInChI=1S/C26H26ClN3O3/c1-30(2)12-13-33-25-16-21(9-11-24(25)32-3)28-26(31)18-6-10-22-19(14-18)15-23(29-22)17-4-7-20(27)8-5-17/h4-11,14-16,29H,12-13H2,1-3H3,(H,28,31)
InChIKeyVCAUZMACRDNXBU-UHFFFAOYSA-N
MW463.97 g/mol
LogP5.69
Rot. Bonds8

About 2-(4-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-1H-indole-5-carboxamide

2-(4-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-1H-indole-5-carboxamide (PubChem CID 44532787) has the molecular formula C26H26ClN3O3 and a molecular weight of 463.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-1H-indole-5-carboxamide
PubChem CID44532787
Molecular FormulaC26H26ClN3O3
Molecular Weight463.97 g/mol
Exact Mass463.17
IUPAC Name2-(4-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-1H-indole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3[nH]c(-c4ccc(Cl)cc4)cc3c2)cc1OCCN(C)C
InChIInChI=1S/C26H26ClN3O3/c1-30(2)12-13-33-25-16-21(9-11-24(25)32-3)28-26(31)18-6-10-22-19(14-18)15-23(29-22)17-4-7-20(27)8-5-17/h4-11,14-16,29H,12-13H2,1-3H3,(H,28,31)
InChIKeyVCAUZMACRDNXBU-UHFFFAOYSA-N
XLogP5.69
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.97
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

LM-4108
CID 4292
3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11154775
Indomethacin-amide derivative, 22
CID 42618098
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-(4-methylphenyl)acetamide
CID 990853
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 1506601
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-(2,6-dimethylphenyl)acetamide
CID 1506602
5-amino-1-(chloromethyl)-3-[[6-[2-(dimethylamino)ethoxy]-5-methoxyindol-2-yl]carbonyl]-1,2-dihydro-3H-benz[e]indole
CID 395184
6-chloro-2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methyl-3H-pyrrolo[3,4-b]indol-1-one
CID 10413268
4-(2-chlorophenyl)-8-(3-(dimethylamino)propoxy)-9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
CID 21980471
4-(2-chlorophenyl)-9-hydroxy-8-(3-morpholinopropoxy)pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
CID 21980575
2-[(4-chlorophenyl)methyl]-6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 60168913
2-(4-chlorophenyl)-6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 71718319

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-1H-indole-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-1H-indole-5-carboxamide (CID 44532787) is 2-(4-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-1H-indole-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-1H-indole-5-carboxamide is COc1ccc(NC(=O)c2ccc3[nH]c(-c4ccc(Cl)cc4)cc3c2)cc1OCCN(C)C.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-1H-indole-5-carboxamide?
The InChIKey is VCAUZMACRDNXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O3/c1-30(2)12-13-33-25-16-21(9-11-24(25)32-3)28-26(31)18-6-10-22-19(14-18)15-23(29-22)17-4-7-20(27)8-5-17/h4-11,14-16,29H,12-13H2,1-3H3,(H,28,31).
What are the key properties of 2-(4-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-1H-indole-5-carboxamide?
2-(4-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-1H-indole-5-carboxamide has a molecular weight of 463.97 g/mol, XLogP of 5.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 44532787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).