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

C21H20Cl2N2O2 — CID 112793678

IUPACN-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]oxolane-2-carboxamide
SMILESO=C(NCC(c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12)C1CCCO1
InChIInChI=1S/C21H20Cl2N2O2/c22-13-7-8-14(18(23)10-13)16(12-25-21(26)20-6-3-9-27-20)17-11-24-19-5-2-1-4-15(17)19/h1-2,4-5,7-8,10-11,16,20,24H,3,6,9,12H2,(H,25,26)
InChIKeyJAJVLIYOOOXSOE-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.90
Rot. Bonds5

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

N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]oxolane-2-carboxamide (PubChem CID 112793678) has the molecular formula C21H20Cl2N2O2 and a molecular weight of 403.31 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]oxolane-2-carboxamide
PubChem CID112793678
Molecular FormulaC21H20Cl2N2O2
Molecular Weight403.31 g/mol
Exact Mass402.09
IUPAC NameN-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]oxolane-2-carboxamide
SMILESO=C(NCC(c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12)C1CCCO1
InChIInChI=1S/C21H20Cl2N2O2/c22-13-7-8-14(18(23)10-13)16(12-25-21(26)20-6-3-9-27-20)17-11-24-19-5-2-1-4-15(17)19/h1-2,4-5,7-8,10-11,16,20,24H,3,6,9,12H2,(H,25,26)
InChIKeyJAJVLIYOOOXSOE-UHFFFAOYSA-N
XLogP4.90
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 112807819
N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 112812774
N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methoxypropanamide
CID 112844805
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]urea
CID 112831796
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]pyrazine-2-carboxamide
CID 112793694
3-[[[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]carbamoylamino]methyl]benzamide
CID 112818253
(1R)-2-[[(2R)-2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-1-phenylethanol
CID 2115092
(3R)-N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 9088811
(3S)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 9088810
N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 112844509
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 39972306

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]oxolane-2-carboxamide (CID 112793678) is N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]oxolane-2-carboxamide is O=C(NCC(c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12)C1CCCO1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]oxolane-2-carboxamide?
The InChIKey is JAJVLIYOOOXSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O2/c22-13-7-8-14(18(23)10-13)16(12-25-21(26)20-6-3-9-27-20)17-11-24-19-5-2-1-4-15(17)19/h1-2,4-5,7-8,10-11,16,20,24H,3,6,9,12H2,(H,25,26).
What are the key properties of N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]oxolane-2-carboxamide?
N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]oxolane-2-carboxamide has a molecular weight of 403.31 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 112793678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).