N-(2-bromoethyl)-N-cyclopentyl-2,3-dihydro-1-benzofuran-3-carboxamide

C16H20BrNO2 — CID 80659005

IUPACN-(2-bromoethyl)-N-cyclopentyl-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESO=C(C1COc2ccccc21)N(CCBr)C1CCCC1
InChIInChI=1S/C16H20BrNO2/c17-9-10-18(12-5-1-2-6-12)16(19)14-11-20-15-8-4-3-7-13(14)15/h3-4,7-8,12,14H,1-2,5-6,9-11H2
InChIKeyGSMFUQJEGFAZLV-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.33
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclopentyl-2,3-dihydro-1-benzofuran-3-carboxamide

N-(2-bromoethyl)-N-cyclopentyl-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 80659005) has the molecular formula C16H20BrNO2 and a molecular weight of 338.25 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopentyl-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopentyl-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID80659005
Molecular FormulaC16H20BrNO2
Molecular Weight338.25 g/mol
Exact Mass337.07
IUPAC NameN-(2-bromoethyl)-N-cyclopentyl-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESO=C(C1COc2ccccc21)N(CCBr)C1CCCC1
InChIInChI=1S/C16H20BrNO2/c17-9-10-18(12-5-1-2-6-12)16(19)14-11-20-15-8-4-3-7-13(14)15/h3-4,7-8,12,14H,1-2,5-6,9-11H2
InChIKeyGSMFUQJEGFAZLV-UHFFFAOYSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2,3-dihydro-1-benzofuran-3-carbonyl(oxan-4-yl)amino]propanoic acid
CID 122146328
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 77020927
N-(2-bromoethyl)-N-cyclobutyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 102873281
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
2-[[(3S)-2,3-dihydro-1-benzofuran-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 124677193
N-(2-bromoethyl)-N-cyclohexyl-2-phenylacetamide
CID 80658910
N-(2-aminocyclohexyl)-N-methyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 102638821
2-[(2-amino-2-oxoethyl)-(2,3-dihydro-1-benzofuran-3-carbonyl)amino]acetic acid
CID 107434626
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 114313869
N-(2-bromoethyl)-N-cyclopentyl-2-hydroxybenzamide
CID 80659305
N-(2-bromoethyl)-N-cyclobutyl-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
CID 102873252
N-ethyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 106626211

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-2,3-dihydro-1-benzofuran-3-carboxamide (CID 80659005) is N-(2-bromoethyl)-N-cyclopentyl-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopentyl-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopentyl-2,3-dihydro-1-benzofuran-3-carboxamide is O=C(C1COc2ccccc21)N(CCBr)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopentyl-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is GSMFUQJEGFAZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2/c17-9-10-18(12-5-1-2-6-12)16(19)14-11-20-15-8-4-3-7-13(14)15/h3-4,7-8,12,14H,1-2,5-6,9-11H2.
What are the key properties of N-(2-bromoethyl)-N-cyclopentyl-2,3-dihydro-1-benzofuran-3-carboxamide?
N-(2-bromoethyl)-N-cyclopentyl-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 338.25 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopentyl-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 80659005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).