N-ethyl-1-[methyl(triphenyl)-λ5-phosphanyl]formamide;hydrobromide

C22H25BrNOP — CID 173165534

IUPACN-ethyl-1-[methyl(triphenyl)-λ5-phosphanyl]formamide;hydrobromide
SMILESBr.CCNC(=O)P(C)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24NOP.BrH/c1-3-23-22(24)25(2,19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21;/h4-18H,3H2,1-2H3,(H,23,24);1H
InChIKeyWLAVWUCWUDPTCQ-UHFFFAOYSA-N
MW430.33 g/mol
LogP4.45
Rot. Bonds5

About N-ethyl-1-[methyl(triphenyl)-λ5-phosphanyl]formamide;hydrobromide

N-ethyl-1-[methyl(triphenyl)-λ5-phosphanyl]formamide;hydrobromide (PubChem CID 173165534) has the molecular formula C22H25BrNOP and a molecular weight of 430.33 g/mol. Its IUPAC name is N-ethyl-1-[methyl(triphenyl)-λ5-phosphanyl]formamide;hydrobromide.

Molecular Properties

Compound NameN-ethyl-1-[methyl(triphenyl)-λ5-phosphanyl]formamide;hydrobromide
PubChem CID173165534
Molecular FormulaC22H25BrNOP
Molecular Weight430.33 g/mol
Exact Mass429.09
IUPAC NameN-ethyl-1-[methyl(triphenyl)-λ5-phosphanyl]formamide;hydrobromide
SMILESBr.CCNC(=O)P(C)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24NOP.BrH/c1-3-23-22(24)25(2,19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21;/h4-18H,3H2,1-2H3,(H,23,24);1H
InChIKeyWLAVWUCWUDPTCQ-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 54.45
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 N-ethyl-1-[methyl(triphenyl)-λ5-phosphanyl]formamide;hydrobromide?
The IUPAC name of N-ethyl-1-[methyl(triphenyl)-λ5-phosphanyl]formamide;hydrobromide (CID 173165534) is N-ethyl-1-[methyl(triphenyl)-λ5-phosphanyl]formamide;hydrobromide.
What is the SMILES notation for N-ethyl-1-[methyl(triphenyl)-λ5-phosphanyl]formamide;hydrobromide?
The canonical SMILES for N-ethyl-1-[methyl(triphenyl)-λ5-phosphanyl]formamide;hydrobromide is Br.CCNC(=O)P(C)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-ethyl-1-[methyl(triphenyl)-λ5-phosphanyl]formamide;hydrobromide?
The InChIKey is WLAVWUCWUDPTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24NOP.BrH/c1-3-23-22(24)25(2,19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21;/h4-18H,3H2,1-2H3,(H,23,24);1H.
What are the key properties of N-ethyl-1-[methyl(triphenyl)-λ5-phosphanyl]formamide;hydrobromide?
N-ethyl-1-[methyl(triphenyl)-λ5-phosphanyl]formamide;hydrobromide has a molecular weight of 430.33 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[methyl(triphenyl)-λ5-phosphanyl]formamide;hydrobromide is sourced from PubChem (CID 173165534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).