4-chloro-N-[(Z)-2-chloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]benzamide

C27H21Cl3NOP — CID 134870022

IUPAC4-chloro-N-[(Z)-2-chloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]benzamide
SMILESO=C(N/C(=C/Cl)P(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C27H21Cl3NOP/c28-20-26(31-27(32)21-16-18-22(29)19-17-21)33(30,23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-20H,(H,31,32)/b26-20-
InChIKeyTVOFQHBNQIBVFH-QOMWVZHYSA-N
MW512.80 g/mol
LogP6.79
Rot. Bonds6

About 4-chloro-N-[(Z)-2-chloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]benzamide

4-chloro-N-[(Z)-2-chloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]benzamide (PubChem CID 134870022) has the molecular formula C27H21Cl3NOP and a molecular weight of 512.80 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-2-chloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-2-chloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]benzamide
PubChem CID134870022
Molecular FormulaC27H21Cl3NOP
Molecular Weight512.80 g/mol
Exact Mass511.04
IUPAC Name4-chloro-N-[(Z)-2-chloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]benzamide
SMILESO=C(N/C(=C/Cl)P(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C27H21Cl3NOP/c28-20-26(31-27(32)21-16-18-22(29)19-17-21)33(30,23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-20H,(H,31,32)/b26-20-
InChIKeyTVOFQHBNQIBVFH-QOMWVZHYSA-N
XLogP6.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.80
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-2-chloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-2-chloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]benzamide (CID 134870022) is 4-chloro-N-[(Z)-2-chloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-2-chloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-2-chloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]benzamide is O=C(N/C(=C/Cl)P(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(Z)-2-chloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]benzamide?
The InChIKey is TVOFQHBNQIBVFH-QOMWVZHYSA-N. The full InChI is InChI=1S/C27H21Cl3NOP/c28-20-26(31-27(32)21-16-18-22(29)19-17-21)33(30,23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-20H,(H,31,32)/b26-20-.
What are the key properties of 4-chloro-N-[(Z)-2-chloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]benzamide?
4-chloro-N-[(Z)-2-chloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]benzamide has a molecular weight of 512.80 g/mol, XLogP of 6.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-2-chloro-1-[chloro(triphenyl)-λ5-phosphanyl]ethenyl]benzamide is sourced from PubChem (CID 134870022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).