N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-phenylcyclopropane-1-carboxamide

C22H24N2O2 — CID 110609563

IUPACN-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-phenylcyclopropane-1-carboxamide
SMILESCC(C)C(=O)N1CCc2cc(NC(=O)C3CC3c3ccccc3)ccc21
InChIInChI=1S/C22H24N2O2/c1-14(2)22(26)24-11-10-16-12-17(8-9-20(16)24)23-21(25)19-13-18(19)15-6-4-3-5-7-15/h3-9,12,14,18-19H,10-11,13H2,1-2H3,(H,23,25)
InChIKeyHVKIOTIWMGRYAP-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.97
Rot. Bonds4

About N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-phenylcyclopropane-1-carboxamide

N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 110609563) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-phenylcyclopropane-1-carboxamide
PubChem CID110609563
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-phenylcyclopropane-1-carboxamide
SMILESCC(C)C(=O)N1CCc2cc(NC(=O)C3CC3c3ccccc3)ccc21
InChIInChI=1S/C22H24N2O2/c1-14(2)22(26)24-11-10-16-12-17(8-9-20(16)24)23-21(25)19-13-18(19)15-6-4-3-5-7-15/h3-9,12,14,18-19H,10-11,13H2,1-2H3,(H,23,25)
InChIKeyHVKIOTIWMGRYAP-UHFFFAOYSA-N
XLogP3.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea
CID 110358442
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-phenylcyclopropane-1-carboxamide
CID 110623537
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]cyclohexanecarboxamide
CID 18584143
N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-phenoxybutanamide
CID 110358439
phenyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate
CID 7656784
3-bromo-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide
CID 110358428
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
N-(2,3-dihydro-1H-indol-5-yl)-2-phenylcyclopropane-1-carboxamide
CID 81485516
4-(2-chlorophenyl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-oxobutanamide
CID 110609573
cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
CID 93010782
2,3,4-trifluoro-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide
CID 110358449
trans-(1S,2S)-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95171765

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-phenylcyclopropane-1-carboxamide (CID 110609563) is N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-phenylcyclopropane-1-carboxamide is CC(C)C(=O)N1CCc2cc(NC(=O)C3CC3c3ccccc3)ccc21.
What is the InChIKey of N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is HVKIOTIWMGRYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-14(2)22(26)24-11-10-16-12-17(8-9-20(16)24)23-21(25)19-13-18(19)15-6-4-3-5-7-15/h3-9,12,14,18-19H,10-11,13H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-phenylcyclopropane-1-carboxamide?
N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 110609563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).