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

C17H17BrN2O — CID 60605582

IUPACN-[(3-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)NCc1cccc(Br)c1
InChIInChI=1S/C17H17BrN2O/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)
InChIKeyVWHMCFBHVJZMLN-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.11
Rot. Bonds2

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

N-[(3-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 60605582) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID60605582
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC NameN-[(3-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)NCc1cccc(Br)c1
InChIInChI=1S/C17H17BrN2O/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)
InChIKeyVWHMCFBHVJZMLN-UHFFFAOYSA-N
XLogP4.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110301242
2-(3-bromophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 113098893
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
1-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108975178
N-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108889946
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 94024655
N-[2-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108902174
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole-1-carboxamide
CID 136577432
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 112974041
N-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 108898943
(2S)-1-N-benzyl-2,3-dihydroindole-1,2-dicarboxamide
CID 41429200

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide (CID 60605582) is N-[(3-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide is CC1Cc2ccccc2N1C(=O)NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is VWHMCFBHVJZMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/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-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
N-[(3-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 345.24 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 60605582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).