3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide

C15H11ClFNO — CID 966058

IUPAC3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)Nc1ccccc1F
InChIInChI=1S/C15H11ClFNO/c16-12-6-2-1-5-11(12)9-10-15(19)18-14-8-4-3-7-13(14)17/h1-10H,(H,18,19)
InChIKeyZPVSNNRMXHCYJQ-UHFFFAOYSA-N
MW275.71 g/mol
LogP4.13
Rot. Bonds3

About 3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide

3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide (PubChem CID 966058) has the molecular formula C15H11ClFNO and a molecular weight of 275.71 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
PubChem CID966058
Molecular FormulaC15H11ClFNO
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC Name3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)Nc1ccccc1F
InChIInChI=1S/C15H11ClFNO/c16-12-6-2-1-5-11(12)9-10-15(19)18-14-8-4-3-7-13(14)17/h1-10H,(H,18,19)
InChIKeyZPVSNNRMXHCYJQ-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 54.13
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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Related Compounds

3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700917
(E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700919
N-(4-bromo-2-fluorophenyl)-3-(2-chlorophenyl)prop-2-enamide
CID 4156225
(E)-N-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 8780485
(E)-3-(2-chlorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 692554
3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 966049
3-(2-chlorophenyl)-N-(2-cyanophenyl)prop-2-enamide
CID 966078
N-(2-benzylphenyl)-3-(2-chlorophenyl)prop-2-enamide
CID 3394107
5-chloro-2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]benzoic acid
CID 23292165
3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 692550
(E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 5339096
N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 882978

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide (CID 966058) is 3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide is O=C(C=Cc1ccccc1Cl)Nc1ccccc1F.
What is the InChIKey of 3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide?
The InChIKey is ZPVSNNRMXHCYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO/c16-12-6-2-1-5-11(12)9-10-15(19)18-14-8-4-3-7-13(14)17/h1-10H,(H,18,19).
What are the key properties of 3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide?
3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide has a molecular weight of 275.71 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 966058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).