N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxybutyl]-1H-indole-2-carboxamide

C23H26Cl2N4O2 — CID 42625295

IUPACN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxybutyl]-1H-indole-2-carboxamide
SMILESO=C(NCC(O)CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)9-8-17(30)15-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)
InChIKeyTVENMNGVXOQXLP-UHFFFAOYSA-N
MW461.39 g/mol
LogP3.78
Rot. Bonds7

About N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxybutyl]-1H-indole-2-carboxamide

N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxybutyl]-1H-indole-2-carboxamide (PubChem CID 42625295) has the molecular formula C23H26Cl2N4O2 and a molecular weight of 461.39 g/mol. Its IUPAC name is N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxybutyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxybutyl]-1H-indole-2-carboxamide
PubChem CID42625295
Molecular FormulaC23H26Cl2N4O2
Molecular Weight461.39 g/mol
Exact Mass460.14
IUPAC NameN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxybutyl]-1H-indole-2-carboxamide
SMILESO=C(NCC(O)CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)9-8-17(30)15-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)
InChIKeyTVENMNGVXOQXLP-UHFFFAOYSA-N
XLogP3.78
TPSA71.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.39
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CP-320626
CID 444746
CP-91149
CID 9843900
R-VK4-40
CID 130431314
5-Chloro-N-{1-[(2R)-2,3-dihydroxypropyl]-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl}-1H-indole-2-carboxamide
CID 10194504
5-Chloro-N-{1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl}-1H-indole-2-carboxamide
CID 10310138
5-Chloro-1H-indole-2-carboxylic acid {[cyclopentyl-(2-hydroxy-ethyl)-carbamoyl]-methyl}-amide
CID 657108
3,4-dihydro-2-quinolone (DHQ) derivative, 10
CID 10126682
5-Chloro-N-[1-(2-hydroxyethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-1H-indole-2-carboxamide
CID 10287292
1-{[(3-chlorophenyl)carbamoyl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 23647200
5-chloro-N-[(2S)-3-(2-chlorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 44450788
5-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 10007017
5-chloro-N-(4-(4-(2,4-dichlorophenyl)piperazin-1-yl)butyl)-1H-indole-2-carboxamide
CID 10367857

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxybutyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxybutyl]-1H-indole-2-carboxamide (CID 42625295) is N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxybutyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxybutyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxybutyl]-1H-indole-2-carboxamide is O=C(NCC(O)CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxybutyl]-1H-indole-2-carboxamide?
The InChIKey is TVENMNGVXOQXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)9-8-17(30)15-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31).
What are the key properties of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxybutyl]-1H-indole-2-carboxamide?
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxybutyl]-1H-indole-2-carboxamide has a molecular weight of 461.39 g/mol, XLogP of 3.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxybutyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 42625295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).