N-(4-bromo-2-methylbutyl)-2,3-dihydro-1H-indene-2-carboxamide

C15H20BrNO — CID 106894277

IUPACN-(4-bromo-2-methylbutyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCC(CCBr)CNC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C15H20BrNO/c1-11(6-7-16)10-17-15(18)14-8-12-4-2-3-5-13(12)9-14/h2-5,11,14H,6-10H2,1H3,(H,17,18)
InChIKeyPUAKOVRCIJRFKU-UHFFFAOYSA-N
MW310.24 g/mol
LogP2.94
Rot. Bonds5

About N-(4-bromo-2-methylbutyl)-2,3-dihydro-1H-indene-2-carboxamide

N-(4-bromo-2-methylbutyl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 106894277) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is N-(4-bromo-2-methylbutyl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylbutyl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID106894277
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC NameN-(4-bromo-2-methylbutyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCC(CCBr)CNC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C15H20BrNO/c1-11(6-7-16)10-17-15(18)14-8-12-4-2-3-5-13(12)9-14/h2-5,11,14H,6-10H2,1H3,(H,17,18)
InChIKeyPUAKOVRCIJRFKU-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-bromo-2-methylbutyl)-2,3-dihydro-1H-indene-2-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

N-isopentyl-4-phenylbutanamide
CID 1725703
N-(2-methylpropyl)-4-phenylbutanamide
CID 2906742
N-cyclopentyl-3-phenylbutanamide
CID 2915733
N-[7-(hydroxyamino)-7-oxoheptyl]-1-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 44299423
N-(3-phenylpropyl)cyclopentanecarboxamide
CID 4577435
9-Allyl-9H-fluorene-9-carboxylic acid ethylamide
CID 22891395
2,3-Dihydrospiro(indene-1,3'-pyrrolidine)-5'-one
CID 66109541
(2S)-N-(2,3-dihydro-1H-inden-2-yl)-2-phenylpropanamide
CID 130292962
N-(2,3-dihydro-1H-inden-2-yl)-5-phenylpentanamide
CID 144925723
Fluorene-9-carboxamide, N-(2-(diethylamino)ethyl)-, hydrochloride
CID 45620
4-(2-Methylphenyl)pyrrolidin-2-one
CID 4346224
1,3,4,5-Tetrahydro-2H-1,5-methano-3-benzazepin-2-one
CID 10130184

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylbutyl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-(4-bromo-2-methylbutyl)-2,3-dihydro-1H-indene-2-carboxamide (CID 106894277) is N-(4-bromo-2-methylbutyl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylbutyl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylbutyl)-2,3-dihydro-1H-indene-2-carboxamide is CC(CCBr)CNC(=O)C1Cc2ccccc2C1.
What is the InChIKey of N-(4-bromo-2-methylbutyl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is PUAKOVRCIJRFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-11(6-7-16)10-17-15(18)14-8-12-4-2-3-5-13(12)9-14/h2-5,11,14H,6-10H2,1H3,(H,17,18).
What are the key properties of N-(4-bromo-2-methylbutyl)-2,3-dihydro-1H-indene-2-carboxamide?
N-(4-bromo-2-methylbutyl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 310.24 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylbutyl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 106894277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).