N-[1-(bromomethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide

C18H24BrNO — CID 106894273

IUPACN-[1-(bromomethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESCC1CCCC(CBr)(NC(=O)C2Cc3ccccc3C2)C1
InChIInChI=1S/C18H24BrNO/c1-13-5-4-8-18(11-13,12-19)20-17(21)16-9-14-6-2-3-7-15(14)10-16/h2-3,6-7,13,16H,4-5,8-12H2,1H3,(H,20,21)
InChIKeyNVICPLQDGHRIKA-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.86
Rot. Bonds3

About N-[1-(bromomethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide

N-[1-(bromomethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 106894273) has the molecular formula C18H24BrNO and a molecular weight of 350.30 g/mol. Its IUPAC name is N-[1-(bromomethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID106894273
Molecular FormulaC18H24BrNO
Molecular Weight350.30 g/mol
Exact Mass349.10
IUPAC NameN-[1-(bromomethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESCC1CCCC(CBr)(NC(=O)C2Cc3ccccc3C2)C1
InChIInChI=1S/C18H24BrNO/c1-13-5-4-8-18(11-13,12-19)20-17(21)16-9-14-6-2-3-7-15(14)10-16/h2-3,6-7,13,16H,4-5,8-12H2,1H3,(H,20,21)
InChIKeyNVICPLQDGHRIKA-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-[1-(bromomethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide (CID 106894273) is N-[1-(bromomethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-[1-(bromomethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-[1-(bromomethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide is CC1CCCC(CBr)(NC(=O)C2Cc3ccccc3C2)C1.
What is the InChIKey of N-[1-(bromomethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is NVICPLQDGHRIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO/c1-13-5-4-8-18(11-13,12-19)20-17(21)16-9-14-6-2-3-7-15(14)10-16/h2-3,6-7,13,16H,4-5,8-12H2,1H3,(H,20,21).
What are the key properties of N-[1-(bromomethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide?
N-[1-(bromomethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 350.30 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 106894273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).