N-[[4-(fluoromethyl)phenyl]methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]prop-2-enamide

C17H22FNO3 — CID 166423715

IUPACN-[[4-(fluoromethyl)phenyl]methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)N(CCC1(C)OCCO1)Cc1ccc(CF)cc1
InChIInChI=1S/C17H22FNO3/c1-3-16(20)19(9-8-17(2)21-10-11-22-17)13-15-6-4-14(12-18)5-7-15/h3-7H,1,8-13H2,2H3
InChIKeyHMTBQXWLKXNPQC-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.82
Rot. Bonds7

About N-[[4-(fluoromethyl)phenyl]methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]prop-2-enamide

N-[[4-(fluoromethyl)phenyl]methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]prop-2-enamide (PubChem CID 166423715) has the molecular formula C17H22FNO3 and a molecular weight of 307.37 g/mol. Its IUPAC name is N-[[4-(fluoromethyl)phenyl]methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[4-(fluoromethyl)phenyl]methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]prop-2-enamide
PubChem CID166423715
Molecular FormulaC17H22FNO3
Molecular Weight307.37 g/mol
Exact Mass307.16
IUPAC NameN-[[4-(fluoromethyl)phenyl]methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)N(CCC1(C)OCCO1)Cc1ccc(CF)cc1
InChIInChI=1S/C17H22FNO3/c1-3-16(20)19(9-8-17(2)21-10-11-22-17)13-15-6-4-14(12-18)5-7-15/h3-7H,1,8-13H2,2H3
InChIKeyHMTBQXWLKXNPQC-UHFFFAOYSA-N
XLogP2.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[[4-(fluoromethyl)phenyl]methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]prop-2-enamide?
The IUPAC name of N-[[4-(fluoromethyl)phenyl]methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]prop-2-enamide (CID 166423715) is N-[[4-(fluoromethyl)phenyl]methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[[4-(fluoromethyl)phenyl]methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for N-[[4-(fluoromethyl)phenyl]methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]prop-2-enamide is C=CC(=O)N(CCC1(C)OCCO1)Cc1ccc(CF)cc1.
What is the InChIKey of N-[[4-(fluoromethyl)phenyl]methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]prop-2-enamide?
The InChIKey is HMTBQXWLKXNPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-3-16(20)19(9-8-17(2)21-10-11-22-17)13-15-6-4-14(12-18)5-7-15/h3-7H,1,8-13H2,2H3.
What are the key properties of N-[[4-(fluoromethyl)phenyl]methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]prop-2-enamide?
N-[[4-(fluoromethyl)phenyl]methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]prop-2-enamide has a molecular weight of 307.37 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(fluoromethyl)phenyl]methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 166423715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).