2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide

C18H17BrN2O — CID 40631420

IUPAC2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)Cn1ccc2cc(Br)ccc21)c1ccccc1
InChIInChI=1S/C18H17BrN2O/c1-13(14-5-3-2-4-6-14)20-18(22)12-21-10-9-15-11-16(19)7-8-17(15)21/h2-11,13H,12H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyPOYCJIPKQDGEHD-ZDUSSCGKSA-N
MW357.25 g/mol
LogP4.28
Rot. Bonds4

About 2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide

2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 40631420) has the molecular formula C18H17BrN2O and a molecular weight of 357.25 g/mol. Its IUPAC name is 2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
PubChem CID40631420
Molecular FormulaC18H17BrN2O
Molecular Weight357.25 g/mol
Exact Mass356.05
IUPAC Name2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)Cn1ccc2cc(Br)ccc21)c1ccccc1
InChIInChI=1S/C18H17BrN2O/c1-13(14-5-3-2-4-6-14)20-18(22)12-21-10-9-15-11-16(19)7-8-17(15)21/h2-11,13H,12H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyPOYCJIPKQDGEHD-ZDUSSCGKSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[2-(5-bromoindol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 39310431
N-[1-(3-bromophenyl)ethyl]-3-indol-1-ylpropanamide
CID 55577883
2-(5-bromo-3-cyanoindol-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 1095444
2-(5-bromo-3-cyanoindol-1-yl)-N-(1-phenylethyl)acetamide
CID 2972798
2-(6-bromoindol-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 90489428
2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide
CID 4291378
2-(6-fluoro-4-oxoquinolin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 100742748
2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 116621827
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)acetamide
CID 110839260
1-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324085
2-(7-methoxyindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 39331953
2-(7-methoxyindol-1-yl)-N-(1-phenylethyl)acetamide
CID 42653944

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide (CID 40631420) is 2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)Cn1ccc2cc(Br)ccc21)c1ccccc1.
What is the InChIKey of 2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is POYCJIPKQDGEHD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17BrN2O/c1-13(14-5-3-2-4-6-14)20-18(22)12-21-10-9-15-11-16(19)7-8-17(15)21/h2-11,13H,12H2,1H3,(H,20,22)/t13-/m0/s1.
What are the key properties of 2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide?
2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 357.25 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 40631420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).