1-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide

C20H20N2O2 — CID 108980844

IUPAC1-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(C(=O)N3CCc4ccccc43)CC2)cc1
InChIInChI=1S/C20H20N2O2/c1-14-6-8-16(9-7-14)21-18(23)20(11-12-20)19(24)22-13-10-15-4-2-3-5-17(15)22/h2-9H,10-13H2,1H3,(H,21,23)
InChIKeyPACFNQBLKIDESY-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.30
Rot. Bonds3

About 1-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide

1-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 108980844) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
PubChem CID108980844
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(C(=O)N3CCc4ccccc43)CC2)cc1
InChIInChI=1S/C20H20N2O2/c1-14-6-8-16(9-7-14)21-18(23)20(11-12-20)19(24)22-13-10-15-4-2-3-5-17(15)22/h2-9H,10-13H2,1H3,(H,21,23)
InChIKeyPACFNQBLKIDESY-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 108981079
N-(2-tert-butylphenyl)-1-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108981061
3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide
CID 108953092
2,3-dihydroindol-1-yl-[1-(4-methylphenyl)cyclopropyl]methanone
CID 113198266
1-(2,3-dihydroindole-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108974961
1-(2,3-dihydroindole-1-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 108975402
N-(4-chloro-2-methylphenyl)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 108981162
2,3-dihydroindol-1-yl-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone
CID 4305804
ethyl 4-[[1-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 108978650
6-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109100169
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-methylphenyl)guanidine
CID 111097779
1-(2,3-dihydroindole-1-carbonyl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 108976201

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide (CID 108980844) is 1-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2(C(=O)N3CCc4ccccc43)CC2)cc1.
What is the InChIKey of 1-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is PACFNQBLKIDESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14-6-8-16(9-7-14)21-18(23)20(11-12-20)19(24)22-13-10-15-4-2-3-5-17(15)22/h2-9H,10-13H2,1H3,(H,21,23).
What are the key properties of 1-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide?
1-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108980844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).