2-(cyclopropylmethylamino)-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]acetamide

C16H19FN2O2 — CID 119754065

IUPAC2-(cyclopropylmethylamino)-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]acetamide
SMILESCc1c(CNC(=O)CNCC2CC2)oc2ccc(F)cc12
InChIInChI=1S/C16H19FN2O2/c1-10-13-6-12(17)4-5-14(13)21-15(10)8-19-16(20)9-18-7-11-2-3-11/h4-6,11,18H,2-3,7-9H2,1H3,(H,19,20)
InChIKeyMEHKMECSLPWLLV-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.50
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]acetamide

2-(cyclopropylmethylamino)-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]acetamide (PubChem CID 119754065) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]acetamide
PubChem CID119754065
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name2-(cyclopropylmethylamino)-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]acetamide
SMILESCc1c(CNC(=O)CNCC2CC2)oc2ccc(F)cc12
InChIInChI=1S/C16H19FN2O2/c1-10-13-6-12(17)4-5-14(13)21-15(10)8-19-16(20)9-18-7-11-2-3-11/h4-6,11,18H,2-3,7-9H2,1H3,(H,19,20)
InChIKeyMEHKMECSLPWLLV-UHFFFAOYSA-N
XLogP2.50
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]acetamide (CID 119754065) is 2-(cyclopropylmethylamino)-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]acetamide is Cc1c(CNC(=O)CNCC2CC2)oc2ccc(F)cc12.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]acetamide?
The InChIKey is MEHKMECSLPWLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-10-13-6-12(17)4-5-14(13)21-15(10)8-19-16(20)9-18-7-11-2-3-11/h4-6,11,18H,2-3,7-9H2,1H3,(H,19,20).
What are the key properties of 2-(cyclopropylmethylamino)-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]acetamide?
2-(cyclopropylmethylamino)-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]acetamide has a molecular weight of 290.34 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]acetamide is sourced from PubChem (CID 119754065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).