N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]propanamide

C11H15FNO2P — CID 170102593

IUPACN-[4-(1-fluoro-1-phosphanylethoxy)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(OC(C)(F)P)cc1
InChIInChI=1S/C11H15FNO2P/c1-3-10(14)13-8-4-6-9(7-5-8)15-11(2,12)16/h4-7H,3,16H2,1-2H3,(H,13,14)
InChIKeySXAFAUGDVFQMGQ-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.93
Rot. Bonds4

About N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]propanamide

N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]propanamide (PubChem CID 170102593) has the molecular formula C11H15FNO2P and a molecular weight of 243.22 g/mol. Its IUPAC name is N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(1-fluoro-1-phosphanylethoxy)phenyl]propanamide
PubChem CID170102593
Molecular FormulaC11H15FNO2P
Molecular Weight243.22 g/mol
Exact Mass243.08
IUPAC NameN-[4-(1-fluoro-1-phosphanylethoxy)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(OC(C)(F)P)cc1
InChIInChI=1S/C11H15FNO2P/c1-3-10(14)13-8-4-6-9(7-5-8)15-11(2,12)16/h4-7H,3,16H2,1-2H3,(H,13,14)
InChIKeySXAFAUGDVFQMGQ-UHFFFAOYSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N'-[4-(trifluoromethoxy)phenyl]propanediamide
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(2-anilino-2-oxoethyl)-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
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N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
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N-[4-(propan-2-ylamino)phenyl]propanamide
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3-chloro-2,2-dimethyl-N-[4-(propanoylamino)phenyl]propanamide
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3-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
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3-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]propanamide?
The IUPAC name of N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]propanamide (CID 170102593) is N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]propanamide.
What is the SMILES notation for N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]propanamide?
The canonical SMILES for N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]propanamide is CCC(=O)Nc1ccc(OC(C)(F)P)cc1.
What is the InChIKey of N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]propanamide?
The InChIKey is SXAFAUGDVFQMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FNO2P/c1-3-10(14)13-8-4-6-9(7-5-8)15-11(2,12)16/h4-7H,3,16H2,1-2H3,(H,13,14).
What are the key properties of N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]propanamide?
N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]propanamide has a molecular weight of 243.22 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-fluoro-1-phosphanylethoxy)phenyl]propanamide is sourced from PubChem (CID 170102593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).