[1-(6-bromo-2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid

C18H17BrN2O3 — CID 67496711

IUPAC[1-(6-bromo-2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid
SMILESO=C(O)NC(Cc1ccccc1)C(=O)N1CCc2ccc(Br)cc21
InChIInChI=1S/C18H17BrN2O3/c19-14-7-6-13-8-9-21(16(13)11-14)17(22)15(20-18(23)24)10-12-4-2-1-3-5-12/h1-7,11,15,20H,8-10H2,(H,23,24)
InChIKeyVNKNDSNAKZLJJJ-UHFFFAOYSA-N
MW389.25 g/mol
LogP3.22
Rot. Bonds4

About [1-(6-bromo-2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid

[1-(6-bromo-2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid (PubChem CID 67496711) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is [1-(6-bromo-2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-(6-bromo-2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid
PubChem CID67496711
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name[1-(6-bromo-2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid
SMILESO=C(O)NC(Cc1ccccc1)C(=O)N1CCc2ccc(Br)cc21
InChIInChI=1S/C18H17BrN2O3/c19-14-7-6-13-8-9-21(16(13)11-14)17(22)15(20-18(23)24)10-12-4-2-1-3-5-12/h1-7,11,15,20H,8-10H2,(H,23,24)
InChIKeyVNKNDSNAKZLJJJ-UHFFFAOYSA-N
XLogP3.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(2S)-1-(5-bromo-2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 131729799
1-(2-bromophenyl)-3-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea
CID 46383608
[(2S)-1-oxo-3-phenyl-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]propan-2-yl]carbamic acid
CID 69078857
6-bromo-2,3-dihydroindole-1-carboxylic acid
CID 118865239
1-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea
CID 92881695
1-cyclohexyl-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]urea
CID 92881765
1-(6-fluoro-2,3-dihydroindol-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107037118
2-amino-1-(6-bromo-2,3-dihydroindol-1-yl)-3-methylpentan-1-one
CID 119785536
[1-(2,3-dihydroxypyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid
CID 22610283
1-[(2S)-3-(4-cyanophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-fluorophenyl)urea
CID 164916035
N-[3-(6-bromo-2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide
CID 126801416
2-(2,3-dihydroindol-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8704361

Frequently Asked Questions

What is the IUPAC name of [1-(6-bromo-2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid?
The IUPAC name of [1-(6-bromo-2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid (CID 67496711) is [1-(6-bromo-2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid.
What is the SMILES notation for [1-(6-bromo-2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid?
The canonical SMILES for [1-(6-bromo-2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid is O=C(O)NC(Cc1ccccc1)C(=O)N1CCc2ccc(Br)cc21.
What is the InChIKey of [1-(6-bromo-2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid?
The InChIKey is VNKNDSNAKZLJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c19-14-7-6-13-8-9-21(16(13)11-14)17(22)15(20-18(23)24)10-12-4-2-1-3-5-12/h1-7,11,15,20H,8-10H2,(H,23,24).
What are the key properties of [1-(6-bromo-2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid?
[1-(6-bromo-2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid has a molecular weight of 389.25 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-bromo-2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid is sourced from PubChem (CID 67496711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).