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

C10H9ClFNO — CID 142691952

IUPAC3-(4-chloro-3-fluorophenyl)-N-methylprop-2-enamide
SMILESCNC(=O)C=Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H9ClFNO/c1-13-10(14)5-3-7-2-4-8(11)9(12)6-7/h2-6H,1H3,(H,13,14)
InChIKeyAFGDULKNVQWBFR-UHFFFAOYSA-N
MW213.64 g/mol
LogP2.24
Rot. Bonds2

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

3-(4-chloro-3-fluorophenyl)-N-methylprop-2-enamide (PubChem CID 142691952) has the molecular formula C10H9ClFNO and a molecular weight of 213.64 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-N-methylprop-2-enamide
PubChem CID142691952
Molecular FormulaC10H9ClFNO
Molecular Weight213.64 g/mol
Exact Mass213.04
IUPAC Name3-(4-chloro-3-fluorophenyl)-N-methylprop-2-enamide
SMILESCNC(=O)C=Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H9ClFNO/c1-13-10(14)5-3-7-2-4-8(11)9(12)6-7/h2-6H,1H3,(H,13,14)
InChIKeyAFGDULKNVQWBFR-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 52.24
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 3-(4-chloro-3-fluorophenyl)-N-methylprop-2-enamide?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-N-methylprop-2-enamide (CID 142691952) is 3-(4-chloro-3-fluorophenyl)-N-methylprop-2-enamide.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-N-methylprop-2-enamide?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-N-methylprop-2-enamide is CNC(=O)C=Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-N-methylprop-2-enamide?
The InChIKey is AFGDULKNVQWBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO/c1-13-10(14)5-3-7-2-4-8(11)9(12)6-7/h2-6H,1H3,(H,13,14).
What are the key properties of 3-(4-chloro-3-fluorophenyl)-N-methylprop-2-enamide?
3-(4-chloro-3-fluorophenyl)-N-methylprop-2-enamide has a molecular weight of 213.64 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 142691952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).