(E)-N-[(6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide

C17H20FNO2 — CID 167220300

IUPAC(E)-N-[(6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide
SMILESCc1c(CN(C)C(=O)/C=C/C(C)C)oc2cc(F)ccc12
InChIInChI=1S/C17H20FNO2/c1-11(2)5-8-17(20)19(4)10-16-12(3)14-7-6-13(18)9-15(14)21-16/h5-9,11H,10H2,1-4H3/b8-5+
InChIKeyGVSNFZUTWZIKIT-VMPITWQZSA-N
MW289.35 g/mol
LogP4.05
Rot. Bonds4

About (E)-N-[(6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide

(E)-N-[(6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide (PubChem CID 167220300) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is (E)-N-[(6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-[(6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide
PubChem CID167220300
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name(E)-N-[(6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide
SMILESCc1c(CN(C)C(=O)/C=C/C(C)C)oc2cc(F)ccc12
InChIInChI=1S/C17H20FNO2/c1-11(2)5-8-17(20)19(4)10-16-12(3)14-7-6-13(18)9-15(14)21-16/h5-9,11H,10H2,1-4H3/b8-5+
InChIKeyGVSNFZUTWZIKIT-VMPITWQZSA-N
XLogP4.05
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide
CID 167220299
N-ethyl-N-propan-2-ylpropan-2-amine;N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
CID 174240235
(E)-N-[(6-fluoro-3,7-dimethyl-1-benzofuran-2-yl)methyl]-N-methyl-3-[6-(methylsulfamoylamino)-3-pyridinyl]prop-2-enamide
CID 171483058
N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(2-oxo-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide;hydrochloride
CID 66967125
5-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 115869516
(E)-3-[4-acetamido-6-(methylsulfamoylamino)-3-pyridinyl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
CID 171483086
2-ethyl-6-fluoro-1-benzofuran-3-carbaldehyde
CID 139644441
(E)-3-(2,2-dimethyl-3-oxo-1,4-dihydropyrido[2,3-b]pyrazin-7-yl)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
CID 146571771
3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]butanamide;hydrochloride
CID 119754076
(E)-3-(2,2-dimethyl-3,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide;hydron;chloride
CID 66966691
N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(4-methyl-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
CID 66966887
(E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide;propane
CID 164917787

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide?
The IUPAC name of (E)-N-[(6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide (CID 167220300) is (E)-N-[(6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide.
What is the SMILES notation for (E)-N-[(6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide?
The canonical SMILES for (E)-N-[(6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide is Cc1c(CN(C)C(=O)/C=C/C(C)C)oc2cc(F)ccc12.
What is the InChIKey of (E)-N-[(6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide?
The InChIKey is GVSNFZUTWZIKIT-VMPITWQZSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-11(2)5-8-17(20)19(4)10-16-12(3)14-7-6-13(18)9-15(14)21-16/h5-9,11H,10H2,1-4H3/b8-5+.
What are the key properties of (E)-N-[(6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide?
(E)-N-[(6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide has a molecular weight of 289.35 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide is sourced from PubChem (CID 167220300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).