N-[dipropoxyphosphoryl(phenyl)methyl]-3-fluorobenzamide

C20H25FNO4P — CID 24787414

IUPACN-[dipropoxyphosphoryl(phenyl)methyl]-3-fluorobenzamide
SMILESCCCOP(=O)(OCCC)C(NC(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C20H25FNO4P/c1-3-13-25-27(24,26-14-4-2)20(16-9-6-5-7-10-16)22-19(23)17-11-8-12-18(21)15-17/h5-12,15,20H,3-4,13-14H2,1-2H3,(H,22,23)
InChIKeyUWXNZFRBDKSYPS-UHFFFAOYSA-N
MW393.40 g/mol
LogP5.30
Rot. Bonds10

About N-[dipropoxyphosphoryl(phenyl)methyl]-3-fluorobenzamide

N-[dipropoxyphosphoryl(phenyl)methyl]-3-fluorobenzamide (PubChem CID 24787414) has the molecular formula C20H25FNO4P and a molecular weight of 393.40 g/mol. Its IUPAC name is N-[dipropoxyphosphoryl(phenyl)methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[dipropoxyphosphoryl(phenyl)methyl]-3-fluorobenzamide
PubChem CID24787414
Molecular FormulaC20H25FNO4P
Molecular Weight393.40 g/mol
Exact Mass393.15
IUPAC NameN-[dipropoxyphosphoryl(phenyl)methyl]-3-fluorobenzamide
SMILESCCCOP(=O)(OCCC)C(NC(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C20H25FNO4P/c1-3-13-25-27(24,26-14-4-2)20(16-9-6-5-7-10-16)22-19(23)17-11-8-12-18(21)15-17/h5-12,15,20H,3-4,13-14H2,1-2H3,(H,22,23)
InChIKeyUWXNZFRBDKSYPS-UHFFFAOYSA-N
XLogP5.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.40
LogP ≤ 55.30
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-[(R)-diethoxyphosphoryl(phenyl)methyl]-4-fluorobenzamide
CID 2324721
propyl (2S)-2-[(3-fluorobenzoyl)amino]propanoate
CID 20836849
N-[dipropoxyphosphoryl(phenyl)methyl]-2,2-dimethylpropanamide
CID 5162766
propyl 2-[(3-fluorobenzoyl)amino]propanoate
CID 6422568
3-fluoro-N-(1-phenylpentyl)benzamide
CID 2941019
N'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide
CID 14923152
ethyl 2-diethoxyphosphoryl-2-(3-fluorophenyl)acetate
CID 19920663
2-[(3-fluorobenzoyl)amino]-3-methylpentanoic acid
CID 16774745
methyl 2-[(3-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531470
pentyl (2S)-2-[(3-fluorobenzoyl)amino]propanoate
CID 20836852
heptyl (2S)-2-[(3-fluorobenzoyl)amino]propanoate
CID 20836854
heptadecyl (2S)-2-[(3-fluorobenzoyl)amino]propanoate
CID 20837263

Frequently Asked Questions

What is the IUPAC name of N-[dipropoxyphosphoryl(phenyl)methyl]-3-fluorobenzamide?
The IUPAC name of N-[dipropoxyphosphoryl(phenyl)methyl]-3-fluorobenzamide (CID 24787414) is N-[dipropoxyphosphoryl(phenyl)methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[dipropoxyphosphoryl(phenyl)methyl]-3-fluorobenzamide?
The canonical SMILES for N-[dipropoxyphosphoryl(phenyl)methyl]-3-fluorobenzamide is CCCOP(=O)(OCCC)C(NC(=O)c1cccc(F)c1)c1ccccc1.
What is the InChIKey of N-[dipropoxyphosphoryl(phenyl)methyl]-3-fluorobenzamide?
The InChIKey is UWXNZFRBDKSYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FNO4P/c1-3-13-25-27(24,26-14-4-2)20(16-9-6-5-7-10-16)22-19(23)17-11-8-12-18(21)15-17/h5-12,15,20H,3-4,13-14H2,1-2H3,(H,22,23).
What are the key properties of N-[dipropoxyphosphoryl(phenyl)methyl]-3-fluorobenzamide?
N-[dipropoxyphosphoryl(phenyl)methyl]-3-fluorobenzamide has a molecular weight of 393.40 g/mol, XLogP of 5.30, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dipropoxyphosphoryl(phenyl)methyl]-3-fluorobenzamide is sourced from PubChem (CID 24787414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).