2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide

C17H18FNOS — CID 131934666

IUPAC2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide
SMILESC=CCN(Cc1ccc(C)s1)C(=O)c1c(C)cccc1F
InChIInChI=1S/C17H18FNOS/c1-4-10-19(11-14-9-8-13(3)21-14)17(20)16-12(2)6-5-7-15(16)18/h4-9H,1,10-11H2,2-3H3
InChIKeyMTKZDCIOOFCLEP-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.33
Rot. Bonds5

About 2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide

2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide (PubChem CID 131934666) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide
PubChem CID131934666
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC Name2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide
SMILESC=CCN(Cc1ccc(C)s1)C(=O)c1c(C)cccc1F
InChIInChI=1S/C17H18FNOS/c1-4-10-19(11-14-9-8-13(3)21-14)17(20)16-12(2)6-5-7-15(16)18/h4-9H,1,10-11H2,2-3H3
InChIKeyMTKZDCIOOFCLEP-UHFFFAOYSA-N
XLogP4.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.33
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

2-bromo-6-fluoro-N,N-bis(prop-2-enyl)benzamide
CID 114559340
2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-N-prop-2-enylbenzamide
CID 107982446
4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylpyridine-2-carboxamide
CID 50973177
1,6-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
CID 131948660
N-[3-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-3-oxopropyl]-2-methylbenzamide
CID 9087398
2-[(3-chlorophenyl)carbamoyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 4527840
N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethyl-N-prop-2-enylbutanamide
CID 4313086
N-benzyl-N-[(5-methylthiophen-2-yl)methyl]-2-[(2-phenylsulfanylacetyl)-prop-2-enylamino]acetamide
CID 3972513
2,6-difluoro-N-(2-phenylethyl)-N-prop-2-enylbenzamide
CID 86857535
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-prop-2-enylpropanamide
CID 4039645
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-chloro-N-prop-2-enylpropanamide
CID 5145547
2-fluoro-6-hydroxy-N-[(3-methoxyphenyl)methyl]-N-prop-2-enylbenzamide
CID 46992128

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide?
The IUPAC name of 2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide (CID 131934666) is 2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide is C=CCN(Cc1ccc(C)s1)C(=O)c1c(C)cccc1F.
What is the InChIKey of 2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide?
The InChIKey is MTKZDCIOOFCLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-4-10-19(11-14-9-8-13(3)21-14)17(20)16-12(2)6-5-7-15(16)18/h4-9H,1,10-11H2,2-3H3.
What are the key properties of 2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide?
2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide has a molecular weight of 303.40 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 131934666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).