N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-2-carboxamide

C14H15BrN2O2 — CID 136578972

IUPACN-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NC2CCc3cc(Br)ccc32)N1
InChIInChI=1S/C14H15BrN2O2/c15-9-2-3-10-8(7-9)1-4-11(10)17-14(19)12-5-6-13(18)16-12/h2-3,7,11-12H,1,4-6H2,(H,16,18)(H,17,19)
InChIKeyALWLMDMSLXKPOB-UHFFFAOYSA-N
MW323.19 g/mol
LogP1.83
Rot. Bonds2

About N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-2-carboxamide

N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 136578972) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-2-carboxamide
PubChem CID136578972
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC NameN-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NC2CCc3cc(Br)ccc32)N1
InChIInChI=1S/C14H15BrN2O2/c15-9-2-3-10-8(7-9)1-4-11(10)17-14(19)12-5-6-13(18)16-12/h2-3,7,11-12H,1,4-6H2,(H,16,18)(H,17,19)
InChIKeyALWLMDMSLXKPOB-UHFFFAOYSA-N
XLogP1.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673094
(2R)-N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-6-oxopiperidine-2-carboxamide
CID 146129673
4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one
CID 106183597
(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamic acid
CID 118139241
N-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 43806476
5-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate
CID 164982080
(4S)-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-oxoimidazolidine-4-carboxamide
CID 97071656
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide
CID 83192047
(2R)-N-[(1R)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-oxoazetidine-2-carboxamide
CID 139412891
N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-fluoro-4-methoxybenzamide
CID 86832844
2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]oxyacetamide
CID 112672562
5-bromo-N-methyl-2,3-dihydro-1H-indene-1-carboxamide
CID 166828796

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-2-carboxamide (CID 136578972) is N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-2-carboxamide is O=C1CCC(C(=O)NC2CCc3cc(Br)ccc32)N1.
What is the InChIKey of N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ALWLMDMSLXKPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c15-9-2-3-10-8(7-9)1-4-11(10)17-14(19)12-5-6-13(18)16-12/h2-3,7,11-12H,1,4-6H2,(H,16,18)(H,17,19).
What are the key properties of N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-2-carboxamide?
N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 323.19 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 136578972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).