(Z)-2-chloro-N-(4-fluorophenyl)-3-phenylprop-2-enamide

C15H11ClFNO — CID 686980

IUPAC(Z)-2-chloro-N-(4-fluorophenyl)-3-phenylprop-2-enamide
SMILESO=C(Nc1ccc(F)cc1)/C(Cl)=C/c1ccccc1
InChIInChI=1S/C15H11ClFNO/c16-14(10-11-4-2-1-3-5-11)15(19)18-13-8-6-12(17)7-9-13/h1-10H,(H,18,19)/b14-10-
InChIKeyPADSEXCZNDPRGR-UVTDQMKNSA-N
MW275.71 g/mol
LogP4.04
Rot. Bonds3

About (Z)-2-chloro-N-(4-fluorophenyl)-3-phenylprop-2-enamide

(Z)-2-chloro-N-(4-fluorophenyl)-3-phenylprop-2-enamide (PubChem CID 686980) has the molecular formula C15H11ClFNO and a molecular weight of 275.71 g/mol. Its IUPAC name is (Z)-2-chloro-N-(4-fluorophenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-chloro-N-(4-fluorophenyl)-3-phenylprop-2-enamide
PubChem CID686980
Molecular FormulaC15H11ClFNO
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC Name(Z)-2-chloro-N-(4-fluorophenyl)-3-phenylprop-2-enamide
SMILESO=C(Nc1ccc(F)cc1)/C(Cl)=C/c1ccccc1
InChIInChI=1S/C15H11ClFNO/c16-14(10-11-4-2-1-3-5-11)15(19)18-13-8-6-12(17)7-9-13/h1-10H,(H,18,19)/b14-10-
InChIKeyPADSEXCZNDPRGR-UVTDQMKNSA-N
XLogP4.04
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 ≤ 54.04
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 (Z)-2-chloro-N-(4-fluorophenyl)-3-phenylprop-2-enamide?
The IUPAC name of (Z)-2-chloro-N-(4-fluorophenyl)-3-phenylprop-2-enamide (CID 686980) is (Z)-2-chloro-N-(4-fluorophenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-2-chloro-N-(4-fluorophenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-2-chloro-N-(4-fluorophenyl)-3-phenylprop-2-enamide is O=C(Nc1ccc(F)cc1)/C(Cl)=C/c1ccccc1.
What is the InChIKey of (Z)-2-chloro-N-(4-fluorophenyl)-3-phenylprop-2-enamide?
The InChIKey is PADSEXCZNDPRGR-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H11ClFNO/c16-14(10-11-4-2-1-3-5-11)15(19)18-13-8-6-12(17)7-9-13/h1-10H,(H,18,19)/b14-10-.
What are the key properties of (Z)-2-chloro-N-(4-fluorophenyl)-3-phenylprop-2-enamide?
(Z)-2-chloro-N-(4-fluorophenyl)-3-phenylprop-2-enamide has a molecular weight of 275.71 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-N-(4-fluorophenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 686980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).