N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-5-fluoro-2-methoxyphenyl]-N-methylacetamide

C15H19FN2O3 — CID 67278837

IUPACN-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-5-fluoro-2-methoxyphenyl]-N-methylacetamide
SMILESCOc1c(C(=O)/C=C/N(C)C)cc(F)cc1N(C)C(C)=O
InChIInChI=1S/C15H19FN2O3/c1-10(19)18(4)13-9-11(16)8-12(15(13)21-5)14(20)6-7-17(2)3/h6-9H,1-5H3/b7-6+
InChIKeyDQGJAAKFHVKETO-VOTSOKGWSA-N
MW294.33 g/mol
LogP2.08
Rot. Bonds5

About N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-5-fluoro-2-methoxyphenyl]-N-methylacetamide

N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-5-fluoro-2-methoxyphenyl]-N-methylacetamide (PubChem CID 67278837) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-5-fluoro-2-methoxyphenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-5-fluoro-2-methoxyphenyl]-N-methylacetamide
PubChem CID67278837
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC NameN-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-5-fluoro-2-methoxyphenyl]-N-methylacetamide
SMILESCOc1c(C(=O)/C=C/N(C)C)cc(F)cc1N(C)C(C)=O
InChIInChI=1S/C15H19FN2O3/c1-10(19)18(4)13-9-11(16)8-12(15(13)21-5)14(20)6-7-17(2)3/h6-9H,1-5H3/b7-6+
InChIKeyDQGJAAKFHVKETO-VOTSOKGWSA-N
XLogP2.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-5-fluoro-2-methoxyphenyl]-N-methylacetamide?
The IUPAC name of N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-5-fluoro-2-methoxyphenyl]-N-methylacetamide (CID 67278837) is N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-5-fluoro-2-methoxyphenyl]-N-methylacetamide.
What is the SMILES notation for N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-5-fluoro-2-methoxyphenyl]-N-methylacetamide?
The canonical SMILES for N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-5-fluoro-2-methoxyphenyl]-N-methylacetamide is COc1c(C(=O)/C=C/N(C)C)cc(F)cc1N(C)C(C)=O.
What is the InChIKey of N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-5-fluoro-2-methoxyphenyl]-N-methylacetamide?
The InChIKey is DQGJAAKFHVKETO-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-10(19)18(4)13-9-11(16)8-12(15(13)21-5)14(20)6-7-17(2)3/h6-9H,1-5H3/b7-6+.
What are the key properties of N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-5-fluoro-2-methoxyphenyl]-N-methylacetamide?
N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-5-fluoro-2-methoxyphenyl]-N-methylacetamide has a molecular weight of 294.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-5-fluoro-2-methoxyphenyl]-N-methylacetamide is sourced from PubChem (CID 67278837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).