N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide

C21H16Cl2N4O — CID 112793694

IUPACN-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCC(c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12)c1cnccn1
InChIInChI=1S/C21H16Cl2N4O/c22-13-5-6-14(18(23)9-13)16(11-27-21(28)20-12-24-7-8-25-20)17-10-26-19-4-2-1-3-15(17)19/h1-10,12,16,26H,11H2,(H,27,28)
InChIKeyJBXRICMGDVXCHT-UHFFFAOYSA-N
MW411.29 g/mol
LogP4.83
Rot. Bonds5

About N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide

N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 112793694) has the molecular formula C21H16Cl2N4O and a molecular weight of 411.29 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
PubChem CID112793694
Molecular FormulaC21H16Cl2N4O
Molecular Weight411.29 g/mol
Exact Mass410.07
IUPAC NameN-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCC(c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12)c1cnccn1
InChIInChI=1S/C21H16Cl2N4O/c22-13-5-6-14(18(23)9-13)16(11-27-21(28)20-12-24-7-8-25-20)17-10-26-19-4-2-1-3-15(17)19/h1-10,12,16,26H,11H2,(H,27,28)
InChIKeyJBXRICMGDVXCHT-UHFFFAOYSA-N
XLogP4.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methoxypropanamide
CID 112844805
N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 112803609
N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-ethoxypropanamide
CID 112823599
N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 112844509
2-chloro-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 55341798
N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 112793678
N-[(2R)-2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2489801
(1R)-2-[[(2R)-2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-1-phenylethanol
CID 2115092
3-[[[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]carbamoylamino]methyl]benzamide
CID 112818253
N-[(2R)-2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2455601
N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4878622
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 8019643

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide (CID 112793694) is N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide is O=C(NCC(c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12)c1cnccn1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is JBXRICMGDVXCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N4O/c22-13-5-6-14(18(23)9-13)16(11-27-21(28)20-12-24-7-8-25-20)17-10-26-19-4-2-1-3-15(17)19/h1-10,12,16,26H,11H2,(H,27,28).
What are the key properties of N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 411.29 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 112793694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).