2-chloro-N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]ethyl]benzamide

C19H19ClN2O3 — CID 55659427

IUPAC2-chloro-N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]ethyl]benzamide
SMILESO=C(Cc1ccc2c(c1)CCO2)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C19H19ClN2O3/c20-16-4-2-1-3-15(16)19(24)22-9-8-21-18(23)12-13-5-6-17-14(11-13)7-10-25-17/h1-6,11H,7-10,12H2,(H,21,23)(H,22,24)
InChIKeyNHUQLUMHIUZMIF-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.36
Rot. Bonds6

About 2-chloro-N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]ethyl]benzamide

2-chloro-N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]ethyl]benzamide (PubChem CID 55659427) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-chloro-N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]ethyl]benzamide
PubChem CID55659427
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name2-chloro-N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]ethyl]benzamide
SMILESO=C(Cc1ccc2c(c1)CCO2)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C19H19ClN2O3/c20-16-4-2-1-3-15(16)19(24)22-9-8-21-18(23)12-13-5-6-17-14(11-13)7-10-25-17/h1-6,11H,7-10,12H2,(H,21,23)(H,22,24)
InChIKeyNHUQLUMHIUZMIF-UHFFFAOYSA-N
XLogP2.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]benzamide
CID 100691959
2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]acetamide
CID 122136652
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 110792403
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-fluorophenyl)acetamide
CID 51309459
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-phenylacetamide
CID 110790434
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110792404
5-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 141276691
methyl 4-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]ethyl]benzoate
CID 51075520
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxybenzamide
CID 110787049
2-benzyl-3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]propanoic acid
CID 119233576
2-(2-chlorophenyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide
CID 91813491
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]ethyl]benzamide (CID 55659427) is 2-chloro-N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]ethyl]benzamide is O=C(Cc1ccc2c(c1)CCO2)NCCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]ethyl]benzamide?
The InChIKey is NHUQLUMHIUZMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c20-16-4-2-1-3-15(16)19(24)22-9-8-21-18(23)12-13-5-6-17-14(11-13)7-10-25-17/h1-6,11H,7-10,12H2,(H,21,23)(H,22,24).
What are the key properties of 2-chloro-N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]ethyl]benzamide?
2-chloro-N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]ethyl]benzamide has a molecular weight of 358.83 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 55659427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).