N-[(1S)-1-(2-bromophenyl)ethyl]-1-methylindole-3-carboxamide

C18H17BrN2O — CID 9152128

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]-1-methylindole-3-carboxamide
SMILESC[C@H](NC(=O)c1cn(C)c2ccccc12)c1ccccc1Br
InChIInChI=1S/C18H17BrN2O/c1-12(13-7-3-5-9-16(13)19)20-18(22)15-11-21(2)17-10-6-4-8-14(15)17/h3-12H,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyBQOLBZAVDWCBCP-LBPRGKRZSA-N
MW357.25 g/mol
LogP4.43
Rot. Bonds3

About N-[(1S)-1-(2-bromophenyl)ethyl]-1-methylindole-3-carboxamide

N-[(1S)-1-(2-bromophenyl)ethyl]-1-methylindole-3-carboxamide (PubChem CID 9152128) has the molecular formula C18H17BrN2O and a molecular weight of 357.25 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]-1-methylindole-3-carboxamide
PubChem CID9152128
Molecular FormulaC18H17BrN2O
Molecular Weight357.25 g/mol
Exact Mass356.05
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]-1-methylindole-3-carboxamide
SMILESC[C@H](NC(=O)c1cn(C)c2ccccc12)c1ccccc1Br
InChIInChI=1S/C18H17BrN2O/c1-12(13-7-3-5-9-16(13)19)20-18(22)15-11-21(2)17-10-6-4-8-14(15)17/h3-12H,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyBQOLBZAVDWCBCP-LBPRGKRZSA-N
XLogP4.43
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 42998507
methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate
CID 47337364
N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 9181387
N-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 30131803
1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]indole-3-carboxamide
CID 103741487
N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide
CID 42998565
1-methyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide
CID 30463969
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methylindole-3-carboxamide
CID 91787907
2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide
CID 81110213
methyl (2S)-3-methyl-2-[(1-methylindole-3-carbonyl)amino]butanoate
CID 51681664
N-[(1R)-1-(2-bromophenyl)ethyl]-2-iodobenzamide
CID 26085546
N-[1-(2-bromophenyl)ethyl]-2-(methylamino)benzamide
CID 60706338

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-1-methylindole-3-carboxamide?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-1-methylindole-3-carboxamide (CID 9152128) is N-[(1S)-1-(2-bromophenyl)ethyl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]-1-methylindole-3-carboxamide is C[C@H](NC(=O)c1cn(C)c2ccccc12)c1ccccc1Br.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]-1-methylindole-3-carboxamide?
The InChIKey is BQOLBZAVDWCBCP-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17BrN2O/c1-12(13-7-3-5-9-16(13)19)20-18(22)15-11-21(2)17-10-6-4-8-14(15)17/h3-12H,1-2H3,(H,20,22)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]-1-methylindole-3-carboxamide?
N-[(1S)-1-(2-bromophenyl)ethyl]-1-methylindole-3-carboxamide has a molecular weight of 357.25 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-bromophenyl)ethyl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 9152128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).