N-[(E)-but-2-enyl]-5-fluoro-N-propan-2-yl-1-benzofuran-2-carboxamide

C16H18FNO2 — CID 176698289

IUPACN-[(E)-but-2-enyl]-5-fluoro-N-propan-2-yl-1-benzofuran-2-carboxamide
SMILESC/C=C/CN(C(=O)c1cc2cc(F)ccc2o1)C(C)C
InChIInChI=1S/C16H18FNO2/c1-4-5-8-18(11(2)3)16(19)15-10-12-9-13(17)6-7-14(12)20-15/h4-7,9-11H,8H2,1-3H3/b5-4+
InChIKeyPACPGBYHESWDBA-SNAWJCMRSA-N
MW275.32 g/mol
LogP4.00
Rot. Bonds4

About N-[(E)-but-2-enyl]-5-fluoro-N-propan-2-yl-1-benzofuran-2-carboxamide

N-[(E)-but-2-enyl]-5-fluoro-N-propan-2-yl-1-benzofuran-2-carboxamide (PubChem CID 176698289) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-5-fluoro-N-propan-2-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-5-fluoro-N-propan-2-yl-1-benzofuran-2-carboxamide
PubChem CID176698289
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC NameN-[(E)-but-2-enyl]-5-fluoro-N-propan-2-yl-1-benzofuran-2-carboxamide
SMILESC/C=C/CN(C(=O)c1cc2cc(F)ccc2o1)C(C)C
InChIInChI=1S/C16H18FNO2/c1-4-5-8-18(11(2)3)16(19)15-10-12-9-13(17)6-7-14(12)20-15/h4-7,9-11H,8H2,1-3H3/b5-4+
InChIKeyPACPGBYHESWDBA-SNAWJCMRSA-N
XLogP4.00
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1-benzofuran-2-carboxamide
CID 109388505
5-amino-N-propan-2-yl-N-propyl-1-benzofuran-2-carboxamide
CID 61092813
5-amino-N-ethyl-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 61094573
1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-3-(methylamino)propan-1-one
CID 114736896
2-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736167
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzofuran-2-carboxamide
CID 111694876
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone
CID 114725891
2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114726024
2,2-diethoxy-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114725706
2-(aminomethyl)-1-(5-fluoro-1-benzofuran-2-yl)-4-methylpentan-1-one
CID 114737121
N-(2-bromoethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 80666605

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-5-fluoro-N-propan-2-yl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(E)-but-2-enyl]-5-fluoro-N-propan-2-yl-1-benzofuran-2-carboxamide (CID 176698289) is N-[(E)-but-2-enyl]-5-fluoro-N-propan-2-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-5-fluoro-N-propan-2-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(E)-but-2-enyl]-5-fluoro-N-propan-2-yl-1-benzofuran-2-carboxamide is C/C=C/CN(C(=O)c1cc2cc(F)ccc2o1)C(C)C.
What is the InChIKey of N-[(E)-but-2-enyl]-5-fluoro-N-propan-2-yl-1-benzofuran-2-carboxamide?
The InChIKey is PACPGBYHESWDBA-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-4-5-8-18(11(2)3)16(19)15-10-12-9-13(17)6-7-14(12)20-15/h4-7,9-11H,8H2,1-3H3/b5-4+.
What are the key properties of N-[(E)-but-2-enyl]-5-fluoro-N-propan-2-yl-1-benzofuran-2-carboxamide?
N-[(E)-but-2-enyl]-5-fluoro-N-propan-2-yl-1-benzofuran-2-carboxamide has a molecular weight of 275.32 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-5-fluoro-N-propan-2-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 176698289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).