5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C14H16ClNO3 — CID 43577374

IUPAC5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(C1Cc2cc(Cl)ccc2O1)N(CCO)C1CC1
InChIInChI=1S/C14H16ClNO3/c15-10-1-4-12-9(7-10)8-13(19-12)14(18)16(5-6-17)11-2-3-11/h1,4,7,11,13,17H,2-3,5-6,8H2
InChIKeyZGXYXJBWZQMSCS-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.63
Rot. Bonds4

About 5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide

5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 43577374) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID43577374
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(C1Cc2cc(Cl)ccc2O1)N(CCO)C1CC1
InChIInChI=1S/C14H16ClNO3/c15-10-1-4-12-9(7-10)8-13(19-12)14(18)16(5-6-17)11-2-3-11/h1,4,7,11,13,17H,2-3,5-6,8H2
InChIKeyZGXYXJBWZQMSCS-UHFFFAOYSA-N
XLogP1.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 43577374) is 5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(C1Cc2cc(Cl)ccc2O1)N(CCO)C1CC1.
What is the InChIKey of 5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is ZGXYXJBWZQMSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c15-10-1-4-12-9(7-10)8-13(19-12)14(18)16(5-6-17)11-2-3-11/h1,4,7,11,13,17H,2-3,5-6,8H2.
What are the key properties of 5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 281.74 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 43577374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).