N-[3-(2-chlorophenoxy)propyl]-2-methyl-2,3-dihydroindole-1-carboxamide

C19H21ClN2O2 — CID 108883584

IUPACN-[3-(2-chlorophenoxy)propyl]-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)NCCCOc1ccccc1Cl
InChIInChI=1S/C19H21ClN2O2/c1-14-13-15-7-2-4-9-17(15)22(14)19(23)21-11-6-12-24-18-10-5-3-8-16(18)20/h2-5,7-10,14H,6,11-13H2,1H3,(H,21,23)
InChIKeyBAJJEJOPHRQJDL-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.27
Rot. Bonds5

About N-[3-(2-chlorophenoxy)propyl]-2-methyl-2,3-dihydroindole-1-carboxamide

N-[3-(2-chlorophenoxy)propyl]-2-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 108883584) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[3-(2-chlorophenoxy)propyl]-2-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenoxy)propyl]-2-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID108883584
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-[3-(2-chlorophenoxy)propyl]-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)NCCCOc1ccccc1Cl
InChIInChI=1S/C19H21ClN2O2/c1-14-13-15-7-2-4-9-17(15)22(14)19(23)21-11-6-12-24-18-10-5-3-8-16(18)20/h2-5,7-10,14H,6,11-13H2,1H3,(H,21,23)
InChIKeyBAJJEJOPHRQJDL-UHFFFAOYSA-N
XLogP4.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,5-dimethylphenoxy)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 112973581
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 112974041
N-(2-chloroacetyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 43146117
N-[2-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108902174
N-(2-ethoxyphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108992032
N-[2-(2-chlorophenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112970539
N-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110301242
2-methyl-N-[3-(4-methylphenyl)-3-oxopropyl]-2,3-dihydroindole-1-carboxamide
CID 108874681
N-[(4-ethoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108884531
(2S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 97094963
N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109133248
N-(2,6-dimethoxyphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108868023

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenoxy)propyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[3-(2-chlorophenoxy)propyl]-2-methyl-2,3-dihydroindole-1-carboxamide (CID 108883584) is N-[3-(2-chlorophenoxy)propyl]-2-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[3-(2-chlorophenoxy)propyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[3-(2-chlorophenoxy)propyl]-2-methyl-2,3-dihydroindole-1-carboxamide is CC1Cc2ccccc2N1C(=O)NCCCOc1ccccc1Cl.
What is the InChIKey of N-[3-(2-chlorophenoxy)propyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is BAJJEJOPHRQJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-14-13-15-7-2-4-9-17(15)22(14)19(23)21-11-6-12-24-18-10-5-3-8-16(18)20/h2-5,7-10,14H,6,11-13H2,1H3,(H,21,23).
What are the key properties of N-[3-(2-chlorophenoxy)propyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
N-[3-(2-chlorophenoxy)propyl]-2-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 344.84 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenoxy)propyl]-2-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 108883584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).