(2S)-5-chloro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide

C16H19ClN2O4 — CID 94809931

IUPAC(2S)-5-chloro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)C(=O)N1CCOCC1
InChIInChI=1S/C16H19ClN2O4/c1-10(16(21)19-4-6-22-7-5-19)18-15(20)14-9-11-8-12(17)2-3-13(11)23-14/h2-3,8,10,14H,4-7,9H2,1H3,(H,18,20)/t10-,14-/m0/s1
InChIKeyTWICWJQSXVKXKU-HZMBPMFUSA-N
MW338.79 g/mol
LogP1.01
Rot. Bonds3

About (2S)-5-chloro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2S)-5-chloro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 94809931) has the molecular formula C16H19ClN2O4 and a molecular weight of 338.79 g/mol. Its IUPAC name is (2S)-5-chloro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-5-chloro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID94809931
Molecular FormulaC16H19ClN2O4
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC Name(2S)-5-chloro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)C(=O)N1CCOCC1
InChIInChI=1S/C16H19ClN2O4/c1-10(16(21)19-4-6-22-7-5-19)18-15(20)14-9-11-8-12(17)2-3-13(11)23-14/h2-3,8,10,14H,4-7,9H2,1H3,(H,18,20)/t10-,14-/m0/s1
InChIKeyTWICWJQSXVKXKU-HZMBPMFUSA-N
XLogP1.01
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-5-chloro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 94821420
(2S)-2-[[(2R)-5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-3-methylbutanoic acid
CID 129365541
5-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55749037
5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 103782304
5-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 103801385
2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43385605
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanone
CID 67297085
3-[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]-2-methylpropanoic acid
CID 62676584
5-chloro-N-(1-naphthalen-2-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 46585233
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 46652079
(2S)-5-chloro-N-(1-methylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 32606463
(2R)-5-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26811005

Frequently Asked Questions

What is the IUPAC name of (2S)-5-chloro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-5-chloro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 94809931) is (2S)-5-chloro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-5-chloro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-5-chloro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide is C[C@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-5-chloro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is TWICWJQSXVKXKU-HZMBPMFUSA-N. The full InChI is InChI=1S/C16H19ClN2O4/c1-10(16(21)19-4-6-22-7-5-19)18-15(20)14-9-11-8-12(17)2-3-13(11)23-14/h2-3,8,10,14H,4-7,9H2,1H3,(H,18,20)/t10-,14-/m0/s1.
What are the key properties of (2S)-5-chloro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-5-chloro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 338.79 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-chloro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 94809931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).