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

C17H20FNO2 — CID 167220299

IUPAC(E)-N-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide
SMILESCc1c(CN(C)C(=O)/C=C/C(C)C)oc2cccc(F)c12
InChIInChI=1S/C17H20FNO2/c1-11(2)8-9-16(20)19(4)10-15-12(3)17-13(18)6-5-7-14(17)21-15/h5-9,11H,10H2,1-4H3/b9-8+
InChIKeyGPVBXFWCONTPPW-CMDGGOBGSA-N
MW289.35 g/mol
LogP4.05
Rot. Bonds4

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

(E)-N-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide (PubChem CID 167220299) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is (E)-N-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide
PubChem CID167220299
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name(E)-N-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide
SMILESCc1c(CN(C)C(=O)/C=C/C(C)C)oc2cccc(F)c12
InChIInChI=1S/C17H20FNO2/c1-11(2)8-9-16(20)19(4)10-15-12(3)17-13(18)6-5-7-14(17)21-15/h5-9,11H,10H2,1-4H3/b9-8+
InChIKeyGPVBXFWCONTPPW-CMDGGOBGSA-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[(6-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide
CID 167220300
N-ethyl-N-propan-2-ylpropan-2-amine;N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
CID 174240235
(4-cyano-3-methyl-1-benzofuran-2-yl)methyl-methylcarbamic acid
CID 156500092
(E)-3-[(7S)-7-amino-8-oxo-5,6,7,9-tetrahydropyrido[2,3-b]azepin-3-yl]-N-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N-methylprop-2-enamide;(E)-3-[(7S)-7-amino-8-oxo-5,6,7,9-tetrahydropyrido[2,3-b]azepin-3-yl]-N-[(7-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]-N-methylprop-2-enamide;(E)-3-[(7S)-7-amino-8-oxo-5,6,7,9-tetrahydropyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]prop-2-enamide
CID 156500221
3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
CID 71944511
methyl 3-[3-(2-fluorophenyl)prop-2-enoyl-methylamino]-2-methylpropanoate
CID 76912312
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
(E)-3-[6-(anilinosulfamoylamino)-3-pyridinyl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
CID 171483048
(Z)-N-[(3,5-difluoro-4-methylphenyl)methyl]-N-methyl-4-oxobut-2-enamide
CID 138459893
N-[(3,4-difluorophenyl)methyl]-N-methylbut-2-enamide
CID 112725264
(E)-N-[(6-fluoro-3,7-dimethyl-1-benzofuran-2-yl)methyl]-N-methyl-3-[6-(methylsulfamoylamino)-3-pyridinyl]prop-2-enamide
CID 171483058
ethyl 3-[[4-[[1-(4-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]amino]benzoyl]-methylamino]propanoate
CID 66778829

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide?
The IUPAC name of (E)-N-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide (CID 167220299) is (E)-N-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide.
What is the SMILES notation for (E)-N-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide?
The canonical SMILES for (E)-N-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide is Cc1c(CN(C)C(=O)/C=C/C(C)C)oc2cccc(F)c12.
What is the InChIKey of (E)-N-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide?
The InChIKey is GPVBXFWCONTPPW-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-11(2)8-9-16(20)19(4)10-15-12(3)17-13(18)6-5-7-14(17)21-15/h5-9,11H,10H2,1-4H3/b9-8+.
What are the key properties of (E)-N-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide?
(E)-N-[(4-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-[(4-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N,4-dimethylpent-2-enamide is sourced from PubChem (CID 167220299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).