N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide

C16H20BrNO — CID 106894271

IUPACN-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(NCC1CCCC1Br)C1Cc2ccccc2C1
InChIInChI=1S/C16H20BrNO/c17-15-7-3-6-13(15)10-18-16(19)14-8-11-4-1-2-5-12(11)9-14/h1-2,4-5,13-15H,3,6-10H2,(H,18,19)
InChIKeyAOALZFYEVXJRJX-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.08
Rot. Bonds3

About N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide

N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 106894271) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID106894271
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC NameN-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(NCC1CCCC1Br)C1Cc2ccccc2C1
InChIInChI=1S/C16H20BrNO/c17-15-7-3-6-13(15)10-18-16(19)14-8-11-4-1-2-5-12(11)9-14/h1-2,4-5,13-15H,3,6-10H2,(H,18,19)
InChIKeyAOALZFYEVXJRJX-UHFFFAOYSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.08
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-bromocyclopentyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 113275363
N-[(2-bromocyclopentyl)methyl]cyclopropanecarboxamide
CID 114313732
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127092
N-[[2-(aminomethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127819
N-[(2-bromocyclopentyl)methyl]-2-(2-chlorophenyl)acetamide
CID 113275396
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 114313869
N-[(2-bromocyclopentyl)methyl]oxolane-3-carboxamide
CID 114313897
N-[(2-bromocyclohexyl)methyl]-2-phenylacetamide
CID 113275097
N-[(2-bromocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide
CID 114313834
N-[(2-bromocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 113275096
N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 155137344
N-[(2-bromocyclopentyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 113275446

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide (CID 106894271) is N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide is O=C(NCC1CCCC1Br)C1Cc2ccccc2C1.
What is the InChIKey of N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is AOALZFYEVXJRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c17-15-7-3-6-13(15)10-18-16(19)14-8-11-4-1-2-5-12(11)9-14/h1-2,4-5,13-15H,3,6-10H2,(H,18,19).
What are the key properties of N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide?
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 322.25 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 106894271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).