N-(4-fluorophenyl)-N-propan-2-ylacetamide;bis(trihydroxy(sulfanylidene)-λ5-phosphane)

C11H20FNO7P2S2 — CID 88710742

IUPACN-(4-fluorophenyl)-N-propan-2-ylacetamide;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESCC(=O)N(c1ccc(F)cc1)C(C)C.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/C11H14FNO.2H3O3PS/c1-8(2)13(9(3)14)11-6-4-10(12)5-7-11;2*1-4(2,3)5/h4-8H,1-3H3;2*(H3,1,2,3,5)
InChIKeyFVPXEIAJRNZSPY-UHFFFAOYSA-N
MW423.36 g/mol
LogP0.96
Rot. Bonds2

About N-(4-fluorophenyl)-N-propan-2-ylacetamide;bis(trihydroxy(sulfanylidene)-λ5-phosphane)

N-(4-fluorophenyl)-N-propan-2-ylacetamide;bis(trihydroxy(sulfanylidene)-λ5-phosphane) (PubChem CID 88710742) has the molecular formula C11H20FNO7P2S2 and a molecular weight of 423.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-propan-2-ylacetamide;bis(trihydroxy(sulfanylidene)-λ5-phosphane).

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-propan-2-ylacetamide;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
PubChem CID88710742
Molecular FormulaC11H20FNO7P2S2
Molecular Weight423.36 g/mol
Exact Mass423.01
IUPAC NameN-(4-fluorophenyl)-N-propan-2-ylacetamide;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESCC(=O)N(c1ccc(F)cc1)C(C)C.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/C11H14FNO.2H3O3PS/c1-8(2)13(9(3)14)11-6-4-10(12)5-7-11;2*1-4(2,3)5/h4-8H,1-3H3;2*(H3,1,2,3,5)
InChIKeyFVPXEIAJRNZSPY-UHFFFAOYSA-N
XLogP0.96
TPSA141.69 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.36
LogP ≤ 50.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-hydroxy-N-propan-2-ylacetamide
CID 169440701
N-(4-fluorophenyl)-N-propan-2-ylpropanamide
CID 18339665
[2-(4-fluoro-N-propan-2-ylanilino)-1-hydroxy-2-oxoethyl] acetate
CID 140995964
[2-(4-fluoro-N-propan-2-ylanilino)-2-oxoethyl] acetate
CID 10220637
N-[4-(aminomethyl)phenyl]-N-propan-2-ylacetamide
CID 43275962
ethyl N-(4-fluorophenyl)-N-propan-2-ylcarbamate
CID 117061413
2-(4-fluoro-N-(4-fluorophenyl)anilino)propanoic acid
CID 139511058
N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
2-(N-ethyl-4-fluoroanilino)pentan-3-one
CID 64866058
(2R)-2-(4-fluoro-N-methylsulfonylanilino)propanoic acid
CID 7378453
(2S)-2-(N-ethyl-4-fluoroanilino)propanamide
CID 143204775
2-dihydroxyphosphinothioylsulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 149151907

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-propan-2-ylacetamide;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The IUPAC name of N-(4-fluorophenyl)-N-propan-2-ylacetamide;bis(trihydroxy(sulfanylidene)-λ5-phosphane) (CID 88710742) is N-(4-fluorophenyl)-N-propan-2-ylacetamide;bis(trihydroxy(sulfanylidene)-λ5-phosphane).
What is the SMILES notation for N-(4-fluorophenyl)-N-propan-2-ylacetamide;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The canonical SMILES for N-(4-fluorophenyl)-N-propan-2-ylacetamide;bis(trihydroxy(sulfanylidene)-λ5-phosphane) is CC(=O)N(c1ccc(F)cc1)C(C)C.OP(O)(O)=S.OP(O)(O)=S.
What is the InChIKey of N-(4-fluorophenyl)-N-propan-2-ylacetamide;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The InChIKey is FVPXEIAJRNZSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO.2H3O3PS/c1-8(2)13(9(3)14)11-6-4-10(12)5-7-11;2*1-4(2,3)5/h4-8H,1-3H3;2*(H3,1,2,3,5).
What are the key properties of N-(4-fluorophenyl)-N-propan-2-ylacetamide;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
N-(4-fluorophenyl)-N-propan-2-ylacetamide;bis(trihydroxy(sulfanylidene)-λ5-phosphane) has a molecular weight of 423.36 g/mol, XLogP of 0.96, 2 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-propan-2-ylacetamide;bis(trihydroxy(sulfanylidene)-λ5-phosphane) is sourced from PubChem (CID 88710742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).