N,N-dibenzyl-2-[chloro(triphenyl)-λ5-phosphanyl]acetamide

C34H31ClNOP — CID 134977829

IUPACN,N-dibenzyl-2-[chloro(triphenyl)-λ5-phosphanyl]acetamide
SMILESO=C(CP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C34H31ClNOP/c35-38(31-20-10-3-11-21-31,32-22-12-4-13-23-32,33-24-14-5-15-25-33)28-34(37)36(26-29-16-6-1-7-17-29)27-30-18-8-2-9-19-30/h1-25H,26-28H2
InChIKeyFASYFGIBYKWQDY-UHFFFAOYSA-N
MW536.06 g/mol
LogP6.90
Rot. Bonds9

About N,N-dibenzyl-2-[chloro(triphenyl)-λ5-phosphanyl]acetamide

N,N-dibenzyl-2-[chloro(triphenyl)-λ5-phosphanyl]acetamide (PubChem CID 134977829) has the molecular formula C34H31ClNOP and a molecular weight of 536.06 g/mol. Its IUPAC name is N,N-dibenzyl-2-[chloro(triphenyl)-λ5-phosphanyl]acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-[chloro(triphenyl)-λ5-phosphanyl]acetamide
PubChem CID134977829
Molecular FormulaC34H31ClNOP
Molecular Weight536.06 g/mol
Exact Mass535.18
IUPAC NameN,N-dibenzyl-2-[chloro(triphenyl)-λ5-phosphanyl]acetamide
SMILESO=C(CP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C34H31ClNOP/c35-38(31-20-10-3-11-21-31,32-22-12-4-13-23-32,33-24-14-5-15-25-33)28-34(37)36(26-29-16-6-1-7-17-29)27-30-18-8-2-9-19-30/h1-25H,26-28H2
InChIKeyFASYFGIBYKWQDY-UHFFFAOYSA-N
XLogP6.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.06
LogP ≤ 56.90
H-Bond Donors ≤ 50
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 N,N-dibenzyl-2-[chloro(triphenyl)-λ5-phosphanyl]acetamide?
The IUPAC name of N,N-dibenzyl-2-[chloro(triphenyl)-λ5-phosphanyl]acetamide (CID 134977829) is N,N-dibenzyl-2-[chloro(triphenyl)-λ5-phosphanyl]acetamide.
What is the SMILES notation for N,N-dibenzyl-2-[chloro(triphenyl)-λ5-phosphanyl]acetamide?
The canonical SMILES for N,N-dibenzyl-2-[chloro(triphenyl)-λ5-phosphanyl]acetamide is O=C(CP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-[chloro(triphenyl)-λ5-phosphanyl]acetamide?
The InChIKey is FASYFGIBYKWQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31ClNOP/c35-38(31-20-10-3-11-21-31,32-22-12-4-13-23-32,33-24-14-5-15-25-33)28-34(37)36(26-29-16-6-1-7-17-29)27-30-18-8-2-9-19-30/h1-25H,26-28H2.
What are the key properties of N,N-dibenzyl-2-[chloro(triphenyl)-λ5-phosphanyl]acetamide?
N,N-dibenzyl-2-[chloro(triphenyl)-λ5-phosphanyl]acetamide has a molecular weight of 536.06 g/mol, XLogP of 6.90, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-[chloro(triphenyl)-λ5-phosphanyl]acetamide is sourced from PubChem (CID 134977829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).