2-[chloro(triphenyl)-λ5-phosphanyl]-N-methylacetamide

C21H21ClNOP — CID 134977828

IUPAC2-[chloro(triphenyl)-λ5-phosphanyl]-N-methylacetamide
SMILESCNC(=O)CP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21ClNOP/c1-23-21(24)17-25(22,18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,17H2,1H3,(H,23,24)
InChIKeyQVAJXOIDUNRKNP-UHFFFAOYSA-N
MW369.83 g/mol
LogP3.42
Rot. Bonds5

About 2-[chloro(triphenyl)-λ5-phosphanyl]-N-methylacetamide

2-[chloro(triphenyl)-λ5-phosphanyl]-N-methylacetamide (PubChem CID 134977828) has the molecular formula C21H21ClNOP and a molecular weight of 369.83 g/mol. Its IUPAC name is 2-[chloro(triphenyl)-λ5-phosphanyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[chloro(triphenyl)-λ5-phosphanyl]-N-methylacetamide
PubChem CID134977828
Molecular FormulaC21H21ClNOP
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC Name2-[chloro(triphenyl)-λ5-phosphanyl]-N-methylacetamide
SMILESCNC(=O)CP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21ClNOP/c1-23-21(24)17-25(22,18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,17H2,1H3,(H,23,24)
InChIKeyQVAJXOIDUNRKNP-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(Triphenylphosphoranylidene)acetamide
CID 38099
2-(Triphenylphosphaniumyl)ethanimidate--hydrogen chloride (1/1)
CID 212892
N-Methoxy-N-methyl(triphenylphosphoranylidene)acetamide
CID 2773656
Acetamide, 2-(diphenylphosphinyl)-N-ethyl-
CID 796967
((2-Chloro-acetylamino)-methyl)-triphenyl-phosphonium, chloride
CID 45048468
Triphenyl-((2,2,2-trifluoro-acetylamino)-methyl)-phosphonium, chloride
CID 24213148
Triphenyl-((2,2,2-trichloro-acetylamino)-methyl)-phosphonium, chloride
CID 45048470
(2-Amino-2-oxoethyl)-triphenylphosphanium
CID 212893
(1-(Dimethylamino)-1-oxopropan-2-yl)triphenylphosphonium bromide
CID 24213348
(1-Acetamido-2,2-dichloroethenyl)(triphenyl)phosphanium perchlorate
CID 45048104
((2,2-Dimethyl-propionylamino)-methyl)-triphenyl-phosphonium, chloride
CID 126959458
(1-Acetylamino-2,2-dichloro-vinyl)-triphenyl-phosphonium, iodide
CID 126960209

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(triphenyl)-λ5-phosphanyl]-N-methylacetamide?
The IUPAC name of 2-[chloro(triphenyl)-λ5-phosphanyl]-N-methylacetamide (CID 134977828) is 2-[chloro(triphenyl)-λ5-phosphanyl]-N-methylacetamide.
What is the SMILES notation for 2-[chloro(triphenyl)-λ5-phosphanyl]-N-methylacetamide?
The canonical SMILES for 2-[chloro(triphenyl)-λ5-phosphanyl]-N-methylacetamide is CNC(=O)CP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[chloro(triphenyl)-λ5-phosphanyl]-N-methylacetamide?
The InChIKey is QVAJXOIDUNRKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClNOP/c1-23-21(24)17-25(22,18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,17H2,1H3,(H,23,24).
What are the key properties of 2-[chloro(triphenyl)-λ5-phosphanyl]-N-methylacetamide?
2-[chloro(triphenyl)-λ5-phosphanyl]-N-methylacetamide has a molecular weight of 369.83 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(triphenyl)-λ5-phosphanyl]-N-methylacetamide is sourced from PubChem (CID 134977828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).