(E)-3-(4-fluorophenyl)-N-methylprop-2-enamide

C10H10FNO — CID 951605

IUPAC(E)-3-(4-fluorophenyl)-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C10H10FNO/c1-12-10(13)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3,(H,12,13)/b7-4+
InChIKeyAUSODVSUTBLBCM-QPJJXVBHSA-N
MW179.19 g/mol
LogP1.58
Rot. Bonds2

About (E)-3-(4-fluorophenyl)-N-methylprop-2-enamide

(E)-3-(4-fluorophenyl)-N-methylprop-2-enamide (PubChem CID 951605) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-methylprop-2-enamide
PubChem CID951605
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name(E)-3-(4-fluorophenyl)-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C10H10FNO/c1-12-10(13)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3,(H,12,13)/b7-4+
InChIKeyAUSODVSUTBLBCM-QPJJXVBHSA-N
XLogP1.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.58
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 (E)-3-(4-fluorophenyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-methylprop-2-enamide (CID 951605) is (E)-3-(4-fluorophenyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-methylprop-2-enamide is CNC(=O)/C=C/c1ccc(F)cc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-methylprop-2-enamide?
The InChIKey is AUSODVSUTBLBCM-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H10FNO/c1-12-10(13)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3,(H,12,13)/b7-4+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-methylprop-2-enamide?
(E)-3-(4-fluorophenyl)-N-methylprop-2-enamide has a molecular weight of 179.19 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 951605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).