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

C17H17ClN2O — CID 110301242

IUPACN-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O/c1-12-9-14-6-2-3-8-16(14)20(12)17(21)19-11-13-5-4-7-15(18)10-13/h2-8,10,12H,9,11H2,1H3,(H,19,21)
InChIKeyPTQCYGVJHVFZJU-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.00
Rot. Bonds2

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

N-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 110301242) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID110301242
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC NameN-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O/c1-12-9-14-6-2-3-8-16(14)20(12)17(21)19-11-13-5-4-7-15(18)10-13/h2-8,10,12H,9,11H2,1H3,(H,19,21)
InChIKeyPTQCYGVJHVFZJU-UHFFFAOYSA-N
XLogP4.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 60605582
N-[2-(3-chlorophenyl)ethyl]-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108980393
(2S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 97094963
N-[(4-ethoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108884531
N-[(3-chlorophenyl)methyl]-2,6-dimethylpiperidine-1-carboxamide
CID 108898698
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-chlorobenzamide
CID 95081549
[5-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109241198
2-[1-(3-chlorophenyl)ethylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 112796829
1-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108975178
1-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 113185869
(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
N-(2-chloroacetyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 43146117

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide (CID 110301242) is N-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide is CC1Cc2ccccc2N1C(=O)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is PTQCYGVJHVFZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-12-9-14-6-2-3-8-16(14)20(12)17(21)19-11-13-5-4-7-15(18)10-13/h2-8,10,12H,9,11H2,1H3,(H,19,21).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
N-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 300.79 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 110301242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).