5-[4-[difluoro(phosphanyl)methyl]phenoxy]-N-(2-hydroxy-1-pyridin-2-ylethyl)naphthalene-2-carboxamide

C25H21F2N2O3P — CID 176698697

IUPAC5-[4-[difluoro(phosphanyl)methyl]phenoxy]-N-(2-hydroxy-1-pyridin-2-ylethyl)naphthalene-2-carboxamide
SMILESO=C(NC(CO)c1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)P)cc3)cccc2c1
InChIInChI=1S/C25H21F2N2O3P/c26-25(27,33)18-8-10-19(11-9-18)32-23-6-3-4-16-14-17(7-12-20(16)23)24(31)29-22(15-30)21-5-1-2-13-28-21/h1-14,22,30H,15,33H2,(H,29,31)
InChIKeyCOCCDESTAXDVLL-UHFFFAOYSA-N
MW466.42 g/mol
LogP5.41
Rot. Bonds7

About 5-[4-[difluoro(phosphanyl)methyl]phenoxy]-N-(2-hydroxy-1-pyridin-2-ylethyl)naphthalene-2-carboxamide

5-[4-[difluoro(phosphanyl)methyl]phenoxy]-N-(2-hydroxy-1-pyridin-2-ylethyl)naphthalene-2-carboxamide (PubChem CID 176698697) has the molecular formula C25H21F2N2O3P and a molecular weight of 466.42 g/mol. Its IUPAC name is 5-[4-[difluoro(phosphanyl)methyl]phenoxy]-N-(2-hydroxy-1-pyridin-2-ylethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name5-[4-[difluoro(phosphanyl)methyl]phenoxy]-N-(2-hydroxy-1-pyridin-2-ylethyl)naphthalene-2-carboxamide
PubChem CID176698697
Molecular FormulaC25H21F2N2O3P
Molecular Weight466.42 g/mol
Exact Mass466.13
IUPAC Name5-[4-[difluoro(phosphanyl)methyl]phenoxy]-N-(2-hydroxy-1-pyridin-2-ylethyl)naphthalene-2-carboxamide
SMILESO=C(NC(CO)c1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)P)cc3)cccc2c1
InChIInChI=1S/C25H21F2N2O3P/c26-25(27,33)18-8-10-19(11-9-18)32-23-6-3-4-16-14-17(7-12-20(16)23)24(31)29-22(15-30)21-5-1-2-13-28-21/h1-14,22,30H,15,33H2,(H,29,31)
InChIKeyCOCCDESTAXDVLL-UHFFFAOYSA-N
XLogP5.41
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.42
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-2-hydroxy-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155213959
N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;naphthalene-1-carboxamide
CID 175540778
2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 157084878
N-[(1R)-1-pyridin-2-ylpropyl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
CID 155262090
5-[4-[difluoro(phosphanyl)methyl]phenoxy]-N-[(3Z,4Z,6Z)-3-propylideneocta-4,6-dien-2-yl]naphthalene-2-carboxamide
CID 176698757
N-(4-aminobutan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214020
N-[(2S)-1-methoxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214013
N-(3-hydroxy-1-pyridin-2-ylpropyl)-5-propan-2-ylnaphthalene-2-carboxamide
CID 176698784
N-[(1R)-1-(1-methylimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155213843
N-[(2R,3S)-4-amino-3-hydroxybutan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155223368
N-[1-(6-amino-2-pyridinyl)ethyl]-5-(4-tert-butylphenoxy)naphthalene-2-carboxamide;ethane
CID 176698635
N-cyano-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214031

Frequently Asked Questions

What is the IUPAC name of 5-[4-[difluoro(phosphanyl)methyl]phenoxy]-N-(2-hydroxy-1-pyridin-2-ylethyl)naphthalene-2-carboxamide?
The IUPAC name of 5-[4-[difluoro(phosphanyl)methyl]phenoxy]-N-(2-hydroxy-1-pyridin-2-ylethyl)naphthalene-2-carboxamide (CID 176698697) is 5-[4-[difluoro(phosphanyl)methyl]phenoxy]-N-(2-hydroxy-1-pyridin-2-ylethyl)naphthalene-2-carboxamide.
What is the SMILES notation for 5-[4-[difluoro(phosphanyl)methyl]phenoxy]-N-(2-hydroxy-1-pyridin-2-ylethyl)naphthalene-2-carboxamide?
The canonical SMILES for 5-[4-[difluoro(phosphanyl)methyl]phenoxy]-N-(2-hydroxy-1-pyridin-2-ylethyl)naphthalene-2-carboxamide is O=C(NC(CO)c1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)P)cc3)cccc2c1.
What is the InChIKey of 5-[4-[difluoro(phosphanyl)methyl]phenoxy]-N-(2-hydroxy-1-pyridin-2-ylethyl)naphthalene-2-carboxamide?
The InChIKey is COCCDESTAXDVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N2O3P/c26-25(27,33)18-8-10-19(11-9-18)32-23-6-3-4-16-14-17(7-12-20(16)23)24(31)29-22(15-30)21-5-1-2-13-28-21/h1-14,22,30H,15,33H2,(H,29,31).
What are the key properties of 5-[4-[difluoro(phosphanyl)methyl]phenoxy]-N-(2-hydroxy-1-pyridin-2-ylethyl)naphthalene-2-carboxamide?
5-[4-[difluoro(phosphanyl)methyl]phenoxy]-N-(2-hydroxy-1-pyridin-2-ylethyl)naphthalene-2-carboxamide has a molecular weight of 466.42 g/mol, XLogP of 5.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[difluoro(phosphanyl)methyl]phenoxy]-N-(2-hydroxy-1-pyridin-2-ylethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 176698697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).