N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-phenylcyclopropane-1-carboxamide

C22H22N2O2 — CID 110623537

IUPACN-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CC2)C1CC1c1ccccc1
InChIInChI=1S/C22H22N2O2/c25-21(19-13-18(19)14-4-2-1-3-5-14)23-17-9-8-15-10-11-24(20(15)12-17)22(26)16-6-7-16/h1-5,8-9,12,16,18-19H,6-7,10-11,13H2,(H,23,25)
InChIKeyYDKDLAAAIXXSCU-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.73
Rot. Bonds4

About N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-phenylcyclopropane-1-carboxamide

N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 110623537) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-phenylcyclopropane-1-carboxamide
PubChem CID110623537
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CC2)C1CC1c1ccccc1
InChIInChI=1S/C22H22N2O2/c25-21(19-13-18(19)14-4-2-1-3-5-14)23-17-9-8-15-10-11-24(20(15)12-17)22(26)16-6-7-16/h1-5,8-9,12,16,18-19H,6-7,10-11,13H2,(H,23,25)
InChIKeyYDKDLAAAIXXSCU-UHFFFAOYSA-N
XLogP3.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-phenylcyclopropane-1-carboxamide
CID 110609563
ethyl 2-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]amino]-2-oxoacetate
CID 112506230
7-[(2-naphthalen-2-ylcyclopropanecarbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 154840494
cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
CID 93010782
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
trans-(1R,2R)-2-(3-chlorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide
CID 136582526
N-(2,3-dihydro-1H-indol-5-yl)-2-phenylcyclopropane-1-carboxamide
CID 81485516
3-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 56762116
trans-(1S,3S)-3-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95391466
3-acetamido-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]propanamide
CID 110353642
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
CID 7586187
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 110313010

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-phenylcyclopropane-1-carboxamide (CID 110623537) is N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-phenylcyclopropane-1-carboxamide is O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CC2)C1CC1c1ccccc1.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is YDKDLAAAIXXSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c25-21(19-13-18(19)14-4-2-1-3-5-14)23-17-9-8-15-10-11-24(20(15)12-17)22(26)16-6-7-16/h1-5,8-9,12,16,18-19H,6-7,10-11,13H2,(H,23,25).
What are the key properties of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-phenylcyclopropane-1-carboxamide?
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 110623537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).