(3R)-N-[(1R,2R)-2-carbamoylcyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide

C15H18N2O3 — CID 124734322

IUPAC(3R)-N-[(1R,2R)-2-carbamoylcyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESNC(=O)[C@@H]1CCC[C@H]1NC(=O)[C@H]1COc2ccccc21
InChIInChI=1S/C15H18N2O3/c16-14(18)10-5-3-6-12(10)17-15(19)11-8-20-13-7-2-1-4-9(11)13/h1-2,4,7,10-12H,3,5-6,8H2,(H2,16,18)(H,17,19)/t10-,11+,12-/m1/s1
InChIKeyMBXNLQGCFNPQIR-GRYCIOLGSA-N
MW274.32 g/mol
LogP0.93
Rot. Bonds3

About (3R)-N-[(1R,2R)-2-carbamoylcyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide

(3R)-N-[(1R,2R)-2-carbamoylcyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 124734322) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (3R)-N-[(1R,2R)-2-carbamoylcyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R,2R)-2-carbamoylcyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID124734322
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(3R)-N-[(1R,2R)-2-carbamoylcyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESNC(=O)[C@@H]1CCC[C@H]1NC(=O)[C@H]1COc2ccccc21
InChIInChI=1S/C15H18N2O3/c16-14(18)10-5-3-6-12(10)17-15(19)11-8-20-13-7-2-1-4-9(11)13/h1-2,4,7,10-12H,3,5-6,8H2,(H2,16,18)(H,17,19)/t10-,11+,12-/m1/s1
InChIKeyMBXNLQGCFNPQIR-GRYCIOLGSA-N
XLogP0.93
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103759058
N-(2-carbamothioylcyclopentyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63709938
(3R)-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 124776517
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
(3S)-N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 99808270
N-(2-aminocycloheptyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708325
trans-(1R,2R)-2-[[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
CID 124779575
2-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 64814303
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 114313869
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
N-(2-amino-2-hydroxyiminoethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 77020893
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R,2R)-2-carbamoylcyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of (3R)-N-[(1R,2R)-2-carbamoylcyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 124734322) is (3R)-N-[(1R,2R)-2-carbamoylcyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1R,2R)-2-carbamoylcyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for (3R)-N-[(1R,2R)-2-carbamoylcyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide is NC(=O)[C@@H]1CCC[C@H]1NC(=O)[C@H]1COc2ccccc21.
What is the InChIKey of (3R)-N-[(1R,2R)-2-carbamoylcyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is MBXNLQGCFNPQIR-GRYCIOLGSA-N. The full InChI is InChI=1S/C15H18N2O3/c16-14(18)10-5-3-6-12(10)17-15(19)11-8-20-13-7-2-1-4-9(11)13/h1-2,4,7,10-12H,3,5-6,8H2,(H2,16,18)(H,17,19)/t10-,11+,12-/m1/s1.
What are the key properties of (3R)-N-[(1R,2R)-2-carbamoylcyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
(3R)-N-[(1R,2R)-2-carbamoylcyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R,2R)-2-carbamoylcyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 124734322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).