N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide

C14H18BrNO — CID 114307626

IUPACN-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCCC(CBr)NC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H18BrNO/c1-2-13(9-15)16-14(17)12-7-6-10-4-3-5-11(10)8-12/h6-8,13H,2-5,9H2,1H3,(H,16,17)
InChIKeyHAHVUXQLVKRLSN-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.08
Rot. Bonds4

About N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide

N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 114307626) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID114307626
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC NameN-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCCC(CBr)NC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H18BrNO/c1-2-13(9-15)16-14(17)12-7-6-10-4-3-5-11(10)8-12/h6-8,13H,2-5,9H2,1H3,(H,16,17)
InChIKeyHAHVUXQLVKRLSN-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)pentanoate
CID 112533171
N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95358601
N-(5-bromopentan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114316446
N-(1-aminohexan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 80697948
2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid
CID 43176189
N-(1-bromobutan-2-yl)-4-hydroxybenzamide
CID 114307598
N-(1-aminobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63755903
3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid
CID 43240739
(2S)-2-(2,3-dihydro-1H-indene-5-carbonylamino)butanedioic acid
CID 112732992
N-pent-4-yn-2-yl-2,3-dihydro-1H-indene-5-carboxamide
CID 115661886
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 103726002
N-(1-bromobutan-2-yl)-4-fluoro-3-methoxybenzamide
CID 114307617

Frequently Asked Questions

What is the IUPAC name of N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide (CID 114307626) is N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide is CCC(CBr)NC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is HAHVUXQLVKRLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-2-13(9-15)16-14(17)12-7-6-10-4-3-5-11(10)8-12/h6-8,13H,2-5,9H2,1H3,(H,16,17).
What are the key properties of N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide?
N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 296.21 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 114307626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).