2-(6-bromoindol-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide

C18H17BrN2O2 — CID 90489428

IUPAC2-(6-bromoindol-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
SMILESO=C(Cn1ccc2ccc(Br)cc21)N[C@H](CO)c1ccccc1
InChIInChI=1S/C18H17BrN2O2/c19-15-7-6-14-8-9-21(17(14)10-15)11-18(23)20-16(12-22)13-4-2-1-3-5-13/h1-10,16,22H,11-12H2,(H,20,23)/t16-/m1/s1
InChIKeyIMZOPOJNIVHCSD-MRXNPFEDSA-N
MW373.25 g/mol
LogP3.25
Rot. Bonds5

About 2-(6-bromoindol-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide

2-(6-bromoindol-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide (PubChem CID 90489428) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 2-(6-bromoindol-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(6-bromoindol-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
PubChem CID90489428
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name2-(6-bromoindol-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
SMILESO=C(Cn1ccc2ccc(Br)cc21)N[C@H](CO)c1ccccc1
InChIInChI=1S/C18H17BrN2O2/c19-15-7-6-14-8-9-21(17(14)10-15)11-18(23)20-16(12-22)13-4-2-1-3-5-13/h1-10,16,22H,11-12H2,(H,20,23)/t16-/m1/s1
InChIKeyIMZOPOJNIVHCSD-MRXNPFEDSA-N
XLogP3.25
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 116621827
2-[[2-(6-bromoindol-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 75117669
2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40631420
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 110001825
2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methylpentanoic acid
CID 75117800
2-(6-bromoindol-1-yl)-N-(3-chlorophenyl)acetamide
CID 116621944
2-(6-bromoindol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 29132462
3-[(2-indol-1-ylacetyl)amino]-3-(3-methylphenyl)propanoic acid
CID 166319506
(2R)-2-[(2-indol-1-ylacetyl)amino]-2-phenylacetic acid
CID 45491721
1-(6-bromoindol-1-yl)butan-2-one
CID 62039344
2,5-dibromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 104920633
1-(6-bromoindol-1-yl)-3-(2-fluorophenyl)propan-2-one
CID 62045340

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoindol-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
The IUPAC name of 2-(6-bromoindol-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide (CID 90489428) is 2-(6-bromoindol-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(6-bromoindol-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
The canonical SMILES for 2-(6-bromoindol-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide is O=C(Cn1ccc2ccc(Br)cc21)N[C@H](CO)c1ccccc1.
What is the InChIKey of 2-(6-bromoindol-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
The InChIKey is IMZOPOJNIVHCSD-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c19-15-7-6-14-8-9-21(17(14)10-15)11-18(23)20-16(12-22)13-4-2-1-3-5-13/h1-10,16,22H,11-12H2,(H,20,23)/t16-/m1/s1.
What are the key properties of 2-(6-bromoindol-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
2-(6-bromoindol-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide has a molecular weight of 373.25 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoindol-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide is sourced from PubChem (CID 90489428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).