N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-[(3R)-oxan-3-yl]propanamide

C16H20ClNO3 — CID 97309160

IUPACN-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-[(3R)-oxan-3-yl]propanamide
SMILESO=C(CC[C@H]1CCCOC1)Nc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C16H20ClNO3/c17-13-8-12-5-7-21-16(12)14(9-13)18-15(19)4-3-11-2-1-6-20-10-11/h8-9,11H,1-7,10H2,(H,18,19)/t11-/m1/s1
InChIKeyDXHIMPZMXVJCNL-LLVKDONJSA-N
MW309.79 g/mol
LogP3.42
Rot. Bonds4

About N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-[(3R)-oxan-3-yl]propanamide

N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-[(3R)-oxan-3-yl]propanamide (PubChem CID 97309160) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-[(3R)-oxan-3-yl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-[(3R)-oxan-3-yl]propanamide
PubChem CID97309160
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC NameN-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-[(3R)-oxan-3-yl]propanamide
SMILESO=C(CC[C@H]1CCCOC1)Nc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C16H20ClNO3/c17-13-8-12-5-7-21-16(12)14(9-13)18-15(19)4-3-11-2-1-6-20-10-11/h8-9,11H,1-7,10H2,(H,18,19)/t11-/m1/s1
InChIKeyDXHIMPZMXVJCNL-LLVKDONJSA-N
XLogP3.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-[(3R)-oxan-3-yl]propanamide?
The IUPAC name of N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-[(3R)-oxan-3-yl]propanamide (CID 97309160) is N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-[(3R)-oxan-3-yl]propanamide.
What is the SMILES notation for N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-[(3R)-oxan-3-yl]propanamide?
The canonical SMILES for N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-[(3R)-oxan-3-yl]propanamide is O=C(CC[C@H]1CCCOC1)Nc1cc(Cl)cc2c1OCC2.
What is the InChIKey of N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-[(3R)-oxan-3-yl]propanamide?
The InChIKey is DXHIMPZMXVJCNL-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20ClNO3/c17-13-8-12-5-7-21-16(12)14(9-13)18-15(19)4-3-11-2-1-6-20-10-11/h8-9,11H,1-7,10H2,(H,18,19)/t11-/m1/s1.
What are the key properties of N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-[(3R)-oxan-3-yl]propanamide?
N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-[(3R)-oxan-3-yl]propanamide has a molecular weight of 309.79 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-[(3R)-oxan-3-yl]propanamide is sourced from PubChem (CID 97309160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).