N-[2-(4-bromophenyl)ethyl]-1-methylindole-5-carboxamide

C18H17BrN2O — CID 112529200

IUPACN-[2-(4-bromophenyl)ethyl]-1-methylindole-5-carboxamide
SMILESCn1ccc2cc(C(=O)NCCc3ccc(Br)cc3)ccc21
InChIInChI=1S/C18H17BrN2O/c1-21-11-9-14-12-15(4-7-17(14)21)18(22)20-10-8-13-2-5-16(19)6-3-13/h2-7,9,11-12H,8,10H2,1H3,(H,20,22)
InChIKeyMVGLQZDWDGUPER-UHFFFAOYSA-N
MW357.25 g/mol
LogP3.91
Rot. Bonds4

About N-[2-(4-bromophenyl)ethyl]-1-methylindole-5-carboxamide

N-[2-(4-bromophenyl)ethyl]-1-methylindole-5-carboxamide (PubChem CID 112529200) has the molecular formula C18H17BrN2O and a molecular weight of 357.25 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)ethyl]-1-methylindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)ethyl]-1-methylindole-5-carboxamide
PubChem CID112529200
Molecular FormulaC18H17BrN2O
Molecular Weight357.25 g/mol
Exact Mass356.05
IUPAC NameN-[2-(4-bromophenyl)ethyl]-1-methylindole-5-carboxamide
SMILESCn1ccc2cc(C(=O)NCCc3ccc(Br)cc3)ccc21
InChIInChI=1S/C18H17BrN2O/c1-21-11-9-14-12-15(4-7-17(14)21)18(22)20-10-8-13-2-5-16(19)6-3-13/h2-7,9,11-12H,8,10H2,1H3,(H,20,22)
InChIKeyMVGLQZDWDGUPER-UHFFFAOYSA-N
XLogP3.91
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[(1-methylindole-5-carbonyl)amino]ethyldisulfanyl]propanoic acid
CID 166422755
4-bromo-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
CID 16889266
1-methyl-N-(2-pyridin-3-ylethyl)indole-6-carboxamide
CID 112530368
N-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692591
5-[2-(4-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 154857316
4-bromo-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 4144460
N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692599
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylindole-5-carboxamide
CID 99794880
N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 110765810
N-[2-(4-bromophenyl)ethyl]-4-methylpiperazine-1-carboxamide
CID 108902313
1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-6-carboxamide
CID 112530174
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)ethyl]-1-methylindole-5-carboxamide?
The IUPAC name of N-[2-(4-bromophenyl)ethyl]-1-methylindole-5-carboxamide (CID 112529200) is N-[2-(4-bromophenyl)ethyl]-1-methylindole-5-carboxamide.
What is the SMILES notation for N-[2-(4-bromophenyl)ethyl]-1-methylindole-5-carboxamide?
The canonical SMILES for N-[2-(4-bromophenyl)ethyl]-1-methylindole-5-carboxamide is Cn1ccc2cc(C(=O)NCCc3ccc(Br)cc3)ccc21.
What is the InChIKey of N-[2-(4-bromophenyl)ethyl]-1-methylindole-5-carboxamide?
The InChIKey is MVGLQZDWDGUPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O/c1-21-11-9-14-12-15(4-7-17(14)21)18(22)20-10-8-13-2-5-16(19)6-3-13/h2-7,9,11-12H,8,10H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-bromophenyl)ethyl]-1-methylindole-5-carboxamide?
N-[2-(4-bromophenyl)ethyl]-1-methylindole-5-carboxamide has a molecular weight of 357.25 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)ethyl]-1-methylindole-5-carboxamide is sourced from PubChem (CID 112529200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).