N-[(R)-diethoxyphosphoryl(phenyl)methyl]-4-fluorobenzamide

C18H21FNO4P — CID 2324721

IUPACN-[(R)-diethoxyphosphoryl(phenyl)methyl]-4-fluorobenzamide
SMILESCCOP(=O)(OCC)[C@@H](NC(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H21FNO4P/c1-3-23-25(22,24-4-2)18(15-8-6-5-7-9-15)20-17(21)14-10-12-16(19)13-11-14/h5-13,18H,3-4H2,1-2H3,(H,20,21)/t18-/m1/s1
InChIKeyIQOIRDZAZIKWEM-GOSISDBHSA-N
MW365.34 g/mol
LogP4.52
Rot. Bonds8

About N-[(R)-diethoxyphosphoryl(phenyl)methyl]-4-fluorobenzamide

N-[(R)-diethoxyphosphoryl(phenyl)methyl]-4-fluorobenzamide (PubChem CID 2324721) has the molecular formula C18H21FNO4P and a molecular weight of 365.34 g/mol. Its IUPAC name is N-[(R)-diethoxyphosphoryl(phenyl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(R)-diethoxyphosphoryl(phenyl)methyl]-4-fluorobenzamide
PubChem CID2324721
Molecular FormulaC18H21FNO4P
Molecular Weight365.34 g/mol
Exact Mass365.12
IUPAC NameN-[(R)-diethoxyphosphoryl(phenyl)methyl]-4-fluorobenzamide
SMILESCCOP(=O)(OCC)[C@@H](NC(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H21FNO4P/c1-3-23-25(22,24-4-2)18(15-8-6-5-7-9-15)20-17(21)14-10-12-16(19)13-11-14/h5-13,18H,3-4H2,1-2H3,(H,20,21)/t18-/m1/s1
InChIKeyIQOIRDZAZIKWEM-GOSISDBHSA-N
XLogP4.52
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[dipropoxyphosphoryl(phenyl)methyl]-3-fluorobenzamide
CID 24787414
N'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide
CID 14923152
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
2-chloro-N-[diethoxyphosphoryl(phenyl)methyl]propanamide
CID 15495992
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
N-[di(propan-2-yloxy)phosphoryl-phenylmethyl]-4-methoxybenzamide
CID 101452186
N-[dipropoxyphosphoryl(phenyl)methyl]-2,2-dimethylpropanamide
CID 5162766
4-fluoro-N-[(1R)-1-phenylpentyl]benzamide
CID 2201408
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
N-[(1S)-1-diethoxyphosphoryl-2-oxoethyl]benzamide
CID 40537671
N-[diethoxyphosphoryl(phenyl)methyl]-2-methylsulfanylaniline
CID 102431976
2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone
CID 122232536

Frequently Asked Questions

What is the IUPAC name of N-[(R)-diethoxyphosphoryl(phenyl)methyl]-4-fluorobenzamide?
The IUPAC name of N-[(R)-diethoxyphosphoryl(phenyl)methyl]-4-fluorobenzamide (CID 2324721) is N-[(R)-diethoxyphosphoryl(phenyl)methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(R)-diethoxyphosphoryl(phenyl)methyl]-4-fluorobenzamide?
The canonical SMILES for N-[(R)-diethoxyphosphoryl(phenyl)methyl]-4-fluorobenzamide is CCOP(=O)(OCC)[C@@H](NC(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[(R)-diethoxyphosphoryl(phenyl)methyl]-4-fluorobenzamide?
The InChIKey is IQOIRDZAZIKWEM-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21FNO4P/c1-3-23-25(22,24-4-2)18(15-8-6-5-7-9-15)20-17(21)14-10-12-16(19)13-11-14/h5-13,18H,3-4H2,1-2H3,(H,20,21)/t18-/m1/s1.
What are the key properties of N-[(R)-diethoxyphosphoryl(phenyl)methyl]-4-fluorobenzamide?
N-[(R)-diethoxyphosphoryl(phenyl)methyl]-4-fluorobenzamide has a molecular weight of 365.34 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-diethoxyphosphoryl(phenyl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 2324721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).