N-(2-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide

C14H18BrNO — CID 106894304

IUPACN-(2-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCCC(Br)CNC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C14H18BrNO/c1-2-13(15)9-16-14(17)12-7-10-5-3-4-6-11(10)8-12/h3-6,12-13H,2,7-9H2,1H3,(H,16,17)
InChIKeyBWXFACVEDVMHNN-UHFFFAOYSA-N
MW296.21 g/mol
LogP2.69
Rot. Bonds4

About N-(2-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide

N-(2-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 106894304) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is N-(2-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID106894304
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC NameN-(2-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCCC(Br)CNC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C14H18BrNO/c1-2-13(15)9-16-14(17)12-7-10-5-3-4-6-11(10)8-12/h3-6,12-13H,2,7-9H2,1H3,(H,16,17)
InChIKeyBWXFACVEDVMHNN-UHFFFAOYSA-N
XLogP2.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-3-methoxypropyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894260
3-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]pentanoic acid
CID 106892446
3-(2,3-dihydro-1H-indene-2-carbonylamino)-2-methylpropanoic acid
CID 106892370
N-(4-bromo-2-methylbutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894277
N-(3-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894268
4-(2,3-dihydro-1H-indene-2-carbonylamino)-3-methylbutanoic acid
CID 106892445
N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703911
N-(3-bromo-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106244912
N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894254
N-(2-bromo-3-ethylpentyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106288162
N-(2-bromo-3-methoxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 113274555
N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 155137344

Frequently Asked Questions

What is the IUPAC name of N-(2-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-(2-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide (CID 106894304) is N-(2-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-(2-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-(2-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide is CCC(Br)CNC(=O)C1Cc2ccccc2C1.
What is the InChIKey of N-(2-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is BWXFACVEDVMHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-2-13(15)9-16-14(17)12-7-10-5-3-4-6-11(10)8-12/h3-6,12-13H,2,7-9H2,1H3,(H,16,17).
What are the key properties of N-(2-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide?
N-(2-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 296.21 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 106894304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).