N-[(3S)-1-(3-bromopropyl)-2-oxo-3H-indol-3-yl]acetamide

C13H15BrN2O2 — CID 9178324

IUPACN-[(3S)-1-(3-bromopropyl)-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)N(CCCBr)c2ccccc21
InChIInChI=1S/C13H15BrN2O2/c1-9(17)15-12-10-5-2-3-6-11(10)16(13(12)18)8-4-7-14/h2-3,5-6,12H,4,7-8H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyLKZSUEFFGLVHQD-LBPRGKRZSA-N
MW311.18 g/mol
LogP2.00
Rot. Bonds4

About N-[(3S)-1-(3-bromopropyl)-2-oxo-3H-indol-3-yl]acetamide

N-[(3S)-1-(3-bromopropyl)-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 9178324) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is N-[(3S)-1-(3-bromopropyl)-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-bromopropyl)-2-oxo-3H-indol-3-yl]acetamide
PubChem CID9178324
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC NameN-[(3S)-1-(3-bromopropyl)-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)N(CCCBr)c2ccccc21
InChIInChI=1S/C13H15BrN2O2/c1-9(17)15-12-10-5-2-3-6-11(10)16(13(12)18)8-4-7-14/h2-3,5-6,12H,4,7-8H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyLKZSUEFFGLVHQD-LBPRGKRZSA-N
XLogP2.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(3R)-1-[3-(4-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178364
N-[(3S)-2-oxo-1-(2-phenylsulfanylethyl)-3H-indol-3-yl]acetamide
CID 915465
N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide
CID 720059
N-[(3R)-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178325
N-[(3S)-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178326
(2-oxo-1-pentyl-3H-indol-3-yl)carbamic acid
CID 69107894
N-[(3S)-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 7447200
N-[(3S)-1-[3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropyl]-2-oxo-3H-indol-3-yl]acetamide
CID 51575263
(2-oxo-1-propyl-3H-indol-3-yl)urea
CID 150324372
N-[(3S)-1-[(4-butoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178339
N-[(3R)-5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 7707518
N-[(3S)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 7447214

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-bromopropyl)-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-(3-bromopropyl)-2-oxo-3H-indol-3-yl]acetamide (CID 9178324) is N-[(3S)-1-(3-bromopropyl)-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-(3-bromopropyl)-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-(3-bromopropyl)-2-oxo-3H-indol-3-yl]acetamide is CC(=O)N[C@@H]1C(=O)N(CCCBr)c2ccccc21.
What is the InChIKey of N-[(3S)-1-(3-bromopropyl)-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is LKZSUEFFGLVHQD-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-9(17)15-12-10-5-2-3-6-11(10)16(13(12)18)8-4-7-14/h2-3,5-6,12H,4,7-8H2,1H3,(H,15,17)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-(3-bromopropyl)-2-oxo-3H-indol-3-yl]acetamide?
N-[(3S)-1-(3-bromopropyl)-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 311.18 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3-bromopropyl)-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).