N-[(4-fluorophenyl)methyl]prop-2-enamide

C10H10FNO — CID 43616255

IUPACN-[(4-fluorophenyl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C10H10FNO/c1-2-10(13)12-7-8-3-5-9(11)6-4-8/h2-6H,1,7H2,(H,12,13)
InChIKeyJUDUJOWHIMYLRZ-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.63
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]prop-2-enamide

N-[(4-fluorophenyl)methyl]prop-2-enamide (PubChem CID 43616255) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]prop-2-enamide
PubChem CID43616255
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC NameN-[(4-fluorophenyl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C10H10FNO/c1-2-10(13)12-7-8-3-5-9(11)6-4-8/h2-6H,1,7H2,(H,12,13)
InChIKeyJUDUJOWHIMYLRZ-UHFFFAOYSA-N
XLogP1.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-fluorophenyl)methyl]prop-2-enamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]prop-2-enamide (CID 43616255) is N-[(4-fluorophenyl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]prop-2-enamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]prop-2-enamide is C=CC(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]prop-2-enamide?
The InChIKey is JUDUJOWHIMYLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-2-10(13)12-7-8-3-5-9(11)6-4-8/h2-6H,1,7H2,(H,12,13).
What are the key properties of N-[(4-fluorophenyl)methyl]prop-2-enamide?
N-[(4-fluorophenyl)methyl]prop-2-enamide has a molecular weight of 179.19 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]prop-2-enamide is sourced from PubChem (CID 43616255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).