N-[2,2-dichloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]-2-fluoroacetamide

C22H18Cl3FNOP — CID 140527072

IUPACN-[2,2-dichloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]-2-fluoroacetamide
SMILESO=C(CF)NC(=C(Cl)Cl)P(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18Cl3FNOP/c23-21(24)22(27-20(28)16-26)29(25,17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,27,28)
InChIKeyMGVXMQYKUSOENM-UHFFFAOYSA-N
MW468.72 g/mol
LogP5.36
Rot. Bonds6

About N-[2,2-dichloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]-2-fluoroacetamide

N-[2,2-dichloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]-2-fluoroacetamide (PubChem CID 140527072) has the molecular formula C22H18Cl3FNOP and a molecular weight of 468.72 g/mol. Its IUPAC name is N-[2,2-dichloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]-2-fluoroacetamide.

Molecular Properties

Compound NameN-[2,2-dichloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]-2-fluoroacetamide
PubChem CID140527072
Molecular FormulaC22H18Cl3FNOP
Molecular Weight468.72 g/mol
Exact Mass467.02
IUPAC NameN-[2,2-dichloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]-2-fluoroacetamide
SMILESO=C(CF)NC(=C(Cl)Cl)P(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18Cl3FNOP/c23-21(24)22(27-20(28)16-26)29(25,17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,27,28)
InChIKeyMGVXMQYKUSOENM-UHFFFAOYSA-N
XLogP5.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.72
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[2,2-dichloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]-2-fluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dichloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]-2-fluoroacetamide?
The IUPAC name of N-[2,2-dichloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]-2-fluoroacetamide (CID 140527072) is N-[2,2-dichloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]-2-fluoroacetamide.
What is the SMILES notation for N-[2,2-dichloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]-2-fluoroacetamide?
The canonical SMILES for N-[2,2-dichloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]-2-fluoroacetamide is O=C(CF)NC(=C(Cl)Cl)P(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2,2-dichloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]-2-fluoroacetamide?
The InChIKey is MGVXMQYKUSOENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl3FNOP/c23-21(24)22(27-20(28)16-26)29(25,17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,27,28).
What are the key properties of N-[2,2-dichloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]-2-fluoroacetamide?
N-[2,2-dichloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]-2-fluoroacetamide has a molecular weight of 468.72 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dichloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]-2-fluoroacetamide is sourced from PubChem (CID 140527072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).