(2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide

C16H21NO2 — CID 9082273

IUPAC(2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NC1CCCCCC1)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C16H21NO2/c18-16(17-13-8-3-1-2-4-9-13)15-11-12-7-5-6-10-14(12)19-15/h5-7,10,13,15H,1-4,8-9,11H2,(H,17,18)/t15-/m1/s1
InChIKeyLZDQLTKTSOCSPA-OAHLLOKOSA-N
MW259.35 g/mol
LogP2.83
Rot. Bonds2

About (2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 9082273) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID9082273
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NC1CCCCCC1)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C16H21NO2/c18-16(17-13-8-3-1-2-4-9-13)15-11-12-7-5-6-10-14(12)19-15/h5-7,10,13,15H,1-4,8-9,11H2,(H,17,18)/t15-/m1/s1
InChIKeyLZDQLTKTSOCSPA-OAHLLOKOSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032698
(2R)-5-chloro-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8006571
(3R)-N-cycloheptyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2176720
(3R)-N-cyclooctyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2397752
N-(1-ethylsulfonylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42886348
(2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9091701
N-[2-(chloromethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106365967
tert-butyl 4-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylate
CID 94812936
N-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43208767
N-(5-methylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 107585077
(2S)-N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 39612398
N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47127876

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide (CID 9082273) is (2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NC1CCCCCC1)[C@H]1Cc2ccccc2O1.
What is the InChIKey of (2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is LZDQLTKTSOCSPA-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21NO2/c18-16(17-13-8-3-1-2-4-9-13)15-11-12-7-5-6-10-14(12)19-15/h5-7,10,13,15H,1-4,8-9,11H2,(H,17,18)/t15-/m1/s1.
What are the key properties of (2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9082273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).