N-[2-(4-chlorophenyl)ethyl]-N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide

C24H24ClN3O3 — CID 41180929

IUPACN-[2-(4-chlorophenyl)ethyl]-N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21
InChIInChI=1S/C24H24ClN3O3/c25-19-9-7-17(8-10-19)11-13-26-23(29)24(30)27-16-21(22-6-3-15-31-22)28-14-12-18-4-1-2-5-20(18)28/h1-10,15,21H,11-14,16H2,(H,26,29)(H,27,30)/t21-/m1/s1
InChIKeyZZQZMIOVOSRIQP-OAQYLSRUSA-N
MW437.93 g/mol
LogP3.51
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide

N-[2-(4-chlorophenyl)ethyl]-N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide (PubChem CID 41180929) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
PubChem CID41180929
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21
InChIInChI=1S/C24H24ClN3O3/c25-19-9-7-17(8-10-19)11-13-26-23(29)24(30)27-16-21(22-6-3-15-31-22)28-14-12-18-4-1-2-5-20(18)28/h1-10,15,21H,11-14,16H2,(H,26,29)(H,27,30)/t21-/m1/s1
InChIKeyZZQZMIOVOSRIQP-OAQYLSRUSA-N
XLogP3.51
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 41180935
N'-(4-chlorophenyl)-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 7179064
N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide
CID 7525363
N'-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N-(3-hydroxypropyl)oxamide
CID 7525356
N-benzyl-N'-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 18577516
N-[2-(4-chlorophenyl)ethyl]-N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
CID 16809905
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-propan-2-yloxamide
CID 7525394
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-propan-2-yloxamide
CID 7525395
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(4-ethylphenyl)oxamide
CID 7179130
N'-cyclopropyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 7525396
N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(2,2-dimethoxyethyl)oxamide
CID 18577527
2-chloro-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide
CID 7525289

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide (CID 41180929) is N-[2-(4-chlorophenyl)ethyl]-N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide is O=C(NCCc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide?
The InChIKey is ZZQZMIOVOSRIQP-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c25-19-9-7-17(8-10-19)11-13-26-23(29)24(30)27-16-21(22-6-3-15-31-22)28-14-12-18-4-1-2-5-20(18)28/h1-10,15,21H,11-14,16H2,(H,26,29)(H,27,30)/t21-/m1/s1.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide?
N-[2-(4-chlorophenyl)ethyl]-N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide has a molecular weight of 437.93 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide is sourced from PubChem (CID 41180929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).