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

C22H19F2N3O3 — CID 18577544

IUPACN'-(2,4-difluorophenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
SMILESO=C(NCC(c1ccco1)N1CCc2ccccc21)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C22H19F2N3O3/c23-15-7-8-17(16(24)12-15)26-22(29)21(28)25-13-19(20-6-3-11-30-20)27-10-9-14-4-1-2-5-18(14)27/h1-8,11-12,19H,9-10,13H2,(H,25,28)(H,26,29)
InChIKeySYCXCMGVIAJDOZ-UHFFFAOYSA-N
MW411.41 g/mol
LogP3.42
Rot. Bonds5

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

N'-(2,4-difluorophenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide (PubChem CID 18577544) has the molecular formula C22H19F2N3O3 and a molecular weight of 411.41 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
PubChem CID18577544
Molecular FormulaC22H19F2N3O3
Molecular Weight411.41 g/mol
Exact Mass411.14
IUPAC NameN'-(2,4-difluorophenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
SMILESO=C(NCC(c1ccco1)N1CCc2ccccc21)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C22H19F2N3O3/c23-15-7-8-17(16(24)12-15)26-22(29)21(28)25-13-19(20-6-3-11-30-20)27-10-9-14-4-1-2-5-18(14)27/h1-8,11-12,19H,9-10,13H2,(H,25,28)(H,26,29)
InChIKeySYCXCMGVIAJDOZ-UHFFFAOYSA-N
XLogP3.42
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 53.42
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'-(4-chlorophenyl)-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 7179064
N'-(2-cyanophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 7179100
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(4-ethylphenyl)oxamide
CID 7179130
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(3,5-dimethylphenyl)oxamide
CID 7179087
N'-(3-acetamidophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 41181106
N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(2,6-dimethylphenyl)oxamide
CID 18577549
N-benzyl-N'-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 18577516
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'-(2,5-difluorophenyl)-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]oxamide
CID 42545875
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

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide?
The IUPAC name of N'-(2,4-difluorophenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide (CID 18577544) is N'-(2,4-difluorophenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide.
What is the SMILES notation for N'-(2,4-difluorophenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide?
The canonical SMILES for N'-(2,4-difluorophenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide is O=C(NCC(c1ccco1)N1CCc2ccccc21)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N'-(2,4-difluorophenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide?
The InChIKey is SYCXCMGVIAJDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O3/c23-15-7-8-17(16(24)12-15)26-22(29)21(28)25-13-19(20-6-3-11-30-20)27-10-9-14-4-1-2-5-18(14)27/h1-8,11-12,19H,9-10,13H2,(H,25,28)(H,26,29).
What are the key properties of N'-(2,4-difluorophenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide?
N'-(2,4-difluorophenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide has a molecular weight of 411.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorophenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide is sourced from PubChem (CID 18577544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).