N-(1-aminohexan-2-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide

C15H21ClN2O2 — CID 119668584

IUPACN-(1-aminohexan-2-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCCCC(CN)NC(=O)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C15H21ClN2O2/c1-2-3-4-12(9-17)18-15(19)14-8-10-7-11(16)5-6-13(10)20-14/h5-7,12,14H,2-4,8-9,17H2,1H3,(H,18,19)
InChIKeyUNBUENJFWQSQLP-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.28
Rot. Bonds6

About N-(1-aminohexan-2-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide

N-(1-aminohexan-2-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 119668584) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID119668584
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-(1-aminohexan-2-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCCCC(CN)NC(=O)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C15H21ClN2O2/c1-2-3-4-12(9-17)18-15(19)14-8-10-7-11(16)5-6-13(10)20-14/h5-7,12,14H,2-4,8-9,17H2,1H3,(H,18,19)
InChIKeyUNBUENJFWQSQLP-UHFFFAOYSA-N
XLogP2.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide (CID 119668584) is N-(1-aminohexan-2-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide is CCCCC(CN)NC(=O)C1Cc2cc(Cl)ccc2O1.
What is the InChIKey of N-(1-aminohexan-2-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is UNBUENJFWQSQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-2-3-4-12(9-17)18-15(19)14-8-10-7-11(16)5-6-13(10)20-14/h5-7,12,14H,2-4,8-9,17H2,1H3,(H,18,19).
What are the key properties of N-(1-aminohexan-2-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(1-aminohexan-2-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 119668584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).