N-[2-(3-chlorophenyl)ethyl]-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide

C22H23ClN2O2 — CID 108980393

IUPACN-[2-(3-chlorophenyl)ethyl]-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)C1(C(=O)NCCc2cccc(Cl)c2)CC1
InChIInChI=1S/C22H23ClN2O2/c1-15-13-17-6-2-3-8-19(17)25(15)21(27)22(10-11-22)20(26)24-12-9-16-5-4-7-18(23)14-16/h2-8,14-15H,9-13H2,1H3,(H,24,26)
InChIKeyLVLKSYJSYDXICK-UHFFFAOYSA-N
MW382.89 g/mol
LogP3.76
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide

N-[2-(3-chlorophenyl)ethyl]-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108980393) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108980393
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)C1(C(=O)NCCc2cccc(Cl)c2)CC1
InChIInChI=1S/C22H23ClN2O2/c1-15-13-17-6-2-3-8-19(17)25(15)21(27)22(10-11-22)20(26)24-12-9-16-5-4-7-18(23)14-16/h2-8,14-15H,9-13H2,1H3,(H,24,26)
InChIKeyLVLKSYJSYDXICK-UHFFFAOYSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 53.76
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-methyl-2,3-dihydroindole-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108975178
N-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110301242
(2S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 97094963
[5-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109241198
N-cycloheptyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108979533
1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 55034928
1-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 113185869
1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976073
1-N'-[2-(3-chlorophenyl)ethyl]-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide
CID 108973789
1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977360
N-(4-bromophenyl)-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108982936
N-(4-fluorophenyl)-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108982421

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide (CID 108980393) is N-[2-(3-chlorophenyl)ethyl]-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide is CC1Cc2ccccc2N1C(=O)C1(C(=O)NCCc2cccc(Cl)c2)CC1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is LVLKSYJSYDXICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-15-13-17-6-2-3-8-19(17)25(15)21(27)22(10-11-22)20(26)24-12-9-16-5-4-7-18(23)14-16/h2-8,14-15H,9-13H2,1H3,(H,24,26).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 382.89 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108980393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).