1-acetyl-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide

C23H21N3O4 — CID 34499300

IUPAC1-acetyl-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NCc3ccc(NC(=O)c4ccco4)cc3)ccc21
InChIInChI=1S/C23H21N3O4/c1-15(27)26-11-10-17-13-18(6-9-20(17)26)22(28)24-14-16-4-7-19(8-5-16)25-23(29)21-3-2-12-30-21/h2-9,12-13H,10-11,14H2,1H3,(H,24,28)(H,25,29)
InChIKeyFAJZOZYYJMPBDX-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.37
Rot. Bonds5

About 1-acetyl-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide

1-acetyl-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 34499300) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 1-acetyl-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
PubChem CID34499300
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name1-acetyl-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NCc3ccc(NC(=O)c4ccco4)cc3)ccc21
InChIInChI=1S/C23H21N3O4/c1-15(27)26-11-10-17-13-18(6-9-20(17)26)22(28)24-14-16-4-7-19(8-5-16)25-23(29)21-3-2-12-30-21/h2-9,12-13H,10-11,14H2,1H3,(H,24,28)(H,25,29)
InChIKeyFAJZOZYYJMPBDX-UHFFFAOYSA-N
XLogP3.37
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydroindole-5-carboxamide
CID 43049282
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 78800817
1-acetyl-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 60524744
N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide
CID 53093574
3-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541330
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide
CID 34818899
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide
CID 110481071
N-(1-methyl-2,3-dihydroindol-5-yl)furan-2-carboxamide
CID 110729319
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide
CID 53043801
2-[[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]methyl]-3-phenylpropanoic acid
CID 119233763
4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoic acid
CID 110452215

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide (CID 34499300) is 1-acetyl-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide is CC(=O)N1CCc2cc(C(=O)NCc3ccc(NC(=O)c4ccco4)cc3)ccc21.
What is the InChIKey of 1-acetyl-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is FAJZOZYYJMPBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-15(27)26-11-10-17-13-18(6-9-20(17)26)22(28)24-14-16-4-7-19(8-5-16)25-23(29)21-3-2-12-30-21/h2-9,12-13H,10-11,14H2,1H3,(H,24,28)(H,25,29).
What are the key properties of 1-acetyl-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 34499300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).