N-[1-(3-bromophenyl)ethyl]-1H-indole-5-carboxamide

C17H15BrN2O — CID 63716758

IUPACN-[1-(3-bromophenyl)ethyl]-1H-indole-5-carboxamide
SMILESCC(NC(=O)c1ccc2[nH]ccc2c1)c1cccc(Br)c1
InChIInChI=1S/C17H15BrN2O/c1-11(12-3-2-4-15(18)10-12)20-17(21)14-5-6-16-13(9-14)7-8-19-16/h2-11,19H,1H3,(H,20,21)
InChIKeyUFNNIZYIOGZLQW-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.42
Rot. Bonds3

About N-[1-(3-bromophenyl)ethyl]-1H-indole-5-carboxamide

N-[1-(3-bromophenyl)ethyl]-1H-indole-5-carboxamide (PubChem CID 63716758) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-1H-indole-5-carboxamide
PubChem CID63716758
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC NameN-[1-(3-bromophenyl)ethyl]-1H-indole-5-carboxamide
SMILESCC(NC(=O)c1ccc2[nH]ccc2c1)c1cccc(Br)c1
InChIInChI=1S/C17H15BrN2O/c1-11(12-3-2-4-15(18)10-12)20-17(21)14-5-6-16-13(9-14)7-8-19-16/h2-11,19H,1H3,(H,20,21)
InChIKeyUFNNIZYIOGZLQW-UHFFFAOYSA-N
XLogP4.42
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[1-(3-bromophenyl)ethyl]-3-hydroxybenzamide
CID 103830500
4-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbenzamide
CID 43699110
N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide
CID 63718611
N-[1-(3-bromophenyl)ethyl]-3-iodobenzamide
CID 63531674
3-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-4-methylbenzamide
CID 81376337
4-(bromomethyl)-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 102851910
3-bromo-N-[1-(3-bromophenyl)ethyl]-4-methoxybenzamide
CID 46585346
(2S,3R)-3-(1H-indole-5-carbonylamino)-2-methylbutanoic acid
CID 129381849
methyl (2R)-2-(1H-indole-5-carbonylamino)propanoate
CID 71918006
N-[1-(3-bromophenyl)ethyl]pyrimidine-5-carboxamide
CID 113434406
N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide
CID 43297641
(2R,3S)-3-(1H-indole-5-carbonylamino)-2-methylbutanoic acid
CID 129381852

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-1H-indole-5-carboxamide (CID 63716758) is N-[1-(3-bromophenyl)ethyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-1H-indole-5-carboxamide is CC(NC(=O)c1ccc2[nH]ccc2c1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-1H-indole-5-carboxamide?
The InChIKey is UFNNIZYIOGZLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-11(12-3-2-4-15(18)10-12)20-17(21)14-5-6-16-13(9-14)7-8-19-16/h2-11,19H,1H3,(H,20,21).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-1H-indole-5-carboxamide?
N-[1-(3-bromophenyl)ethyl]-1H-indole-5-carboxamide has a molecular weight of 343.22 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 63716758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).