2-fluoro-N-[(5-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide

C13H12FNO2 — CID 167840729

IUPAC2-fluoro-N-[(5-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
SMILESC=C(F)C(=O)NCc1cc2cc(C)ccc2o1
InChIInChI=1S/C13H12FNO2/c1-8-3-4-12-10(5-8)6-11(17-12)7-15-13(16)9(2)14/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyCGPWZSRGGBUHNO-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.84
Rot. Bonds3

About 2-fluoro-N-[(5-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide

2-fluoro-N-[(5-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide (PubChem CID 167840729) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is 2-fluoro-N-[(5-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name2-fluoro-N-[(5-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
PubChem CID167840729
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name2-fluoro-N-[(5-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
SMILESC=C(F)C(=O)NCc1cc2cc(C)ccc2o1
InChIInChI=1S/C13H12FNO2/c1-8-3-4-12-10(5-8)6-11(17-12)7-15-13(16)9(2)14/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyCGPWZSRGGBUHNO-UHFFFAOYSA-N
XLogP2.84
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(5-methyl-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide
CID 166158839
2-[2-[(5-methyl-1-benzofuran-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid
CID 135337241
N-[(5-methyl-1-benzofuran-2-yl)methyl]aniline
CID 55013176
2,2-dimethyl-3-(5-methyl-1-benzofuran-2-yl)propanoic acid
CID 117195137
(5-methyl-1-benzofuran-2-yl)methanethiol
CID 117185273
lithium 2-[(5-chloro-1-benzofuran-2-yl)methylamino]-2-oxoacetate
CID 86719520
1-[(5-methyl-1-benzofuran-2-yl)methyl]-3-(1-oxo-2H-isoquinolin-6-yl)urea
CID 167772771
N-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
CID 115598745
4-hydroxy-N-[(5-methyl-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 166268886
N-[(5-methyl-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 55013130
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
3-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 82504583

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(5-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide?
The IUPAC name of 2-fluoro-N-[(5-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide (CID 167840729) is 2-fluoro-N-[(5-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for 2-fluoro-N-[(5-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide?
The canonical SMILES for 2-fluoro-N-[(5-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide is C=C(F)C(=O)NCc1cc2cc(C)ccc2o1.
What is the InChIKey of 2-fluoro-N-[(5-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide?
The InChIKey is CGPWZSRGGBUHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c1-8-3-4-12-10(5-8)6-11(17-12)7-15-13(16)9(2)14/h3-6H,2,7H2,1H3,(H,15,16).
What are the key properties of 2-fluoro-N-[(5-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide?
2-fluoro-N-[(5-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide has a molecular weight of 233.24 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(5-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 167840729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).