(2S)-N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide

C16H19ClN2O3 — CID 95580315

IUPAC(2S)-N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNC(=O)CN(C(=O)[C@@H]1Cc2cc(Cl)ccc2O1)C1CCCC1
InChIInChI=1S/C16H19ClN2O3/c17-11-5-6-13-10(7-11)8-14(22-13)16(21)19(9-15(18)20)12-3-1-2-4-12/h5-7,12,14H,1-4,8-9H2,(H2,18,20)/t14-/m0/s1
InChIKeyROWJWTVUOHMKLL-AWEZNQCLSA-N
MW322.79 g/mol
LogP1.90
Rot. Bonds4

About (2S)-N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide

(2S)-N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 95580315) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is (2S)-N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID95580315
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name(2S)-N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNC(=O)CN(C(=O)[C@@H]1Cc2cc(Cl)ccc2O1)C1CCCC1
InChIInChI=1S/C16H19ClN2O3/c17-11-5-6-13-10(7-11)8-14(22-13)16(21)19(9-15(18)20)12-3-1-2-4-12/h5-7,12,14H,1-4,8-9H2,(H2,18,20)/t14-/m0/s1
InChIKeyROWJWTVUOHMKLL-AWEZNQCLSA-N
XLogP1.90
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43577374
5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42920084
(2R)-5-chloro-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8006571
methyl 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-propan-2-ylamino]acetate
CID 60779368
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanone
CID 67297085
(2R)-5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 37005184
(2R)-5-chloro-N,N-bis(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95157077
(3S)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94134556
5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24679615
(2R)-6-chloro-3,4-dihydro-2H-chromene-2-carboxamide
CID 66893695
N-(2-amino-1-cyclohexylethyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119591964
N-(2-chloroethyl)-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 63391507

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide (CID 95580315) is (2S)-N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide is NC(=O)CN(C(=O)[C@@H]1Cc2cc(Cl)ccc2O1)C1CCCC1.
What is the InChIKey of (2S)-N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is ROWJWTVUOHMKLL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c17-11-5-6-13-10(7-11)8-14(22-13)16(21)19(9-15(18)20)12-3-1-2-4-12/h5-7,12,14H,1-4,8-9H2,(H2,18,20)/t14-/m0/s1.
What are the key properties of (2S)-N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 322.79 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 95580315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).