4-fluoro-N-[3-[(4-phosphanylbenzoyl)amino]-1-adamantyl]benzamide

C24H26FN2O2P — CID 170245219

IUPAC4-fluoro-N-[3-[(4-phosphanylbenzoyl)amino]-1-adamantyl]benzamide
SMILESO=C(NC12CC3CC(C1)CC(NC(=O)c1ccc(P)cc1)(C3)C2)c1ccc(F)cc1
InChIInChI=1S/C24H26FN2O2P/c25-19-5-1-17(2-6-19)21(28)26-23-10-15-9-16(11-23)13-24(12-15,14-23)27-22(29)18-3-7-20(30)8-4-18/h1-8,15-16H,9-14,30H2,(H,26,28)(H,27,29)
InChIKeyYTYLKDVUUNHEKV-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.58
Rot. Bonds4

About 4-fluoro-N-[3-[(4-phosphanylbenzoyl)amino]-1-adamantyl]benzamide

4-fluoro-N-[3-[(4-phosphanylbenzoyl)amino]-1-adamantyl]benzamide (PubChem CID 170245219) has the molecular formula C24H26FN2O2P and a molecular weight of 424.46 g/mol. Its IUPAC name is 4-fluoro-N-[3-[(4-phosphanylbenzoyl)amino]-1-adamantyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[(4-phosphanylbenzoyl)amino]-1-adamantyl]benzamide
PubChem CID170245219
Molecular FormulaC24H26FN2O2P
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Name4-fluoro-N-[3-[(4-phosphanylbenzoyl)amino]-1-adamantyl]benzamide
SMILESO=C(NC12CC3CC(C1)CC(NC(=O)c1ccc(P)cc1)(C3)C2)c1ccc(F)cc1
InChIInChI=1S/C24H26FN2O2P/c25-19-5-1-17(2-6-19)21(28)26-23-10-15-9-16(11-23)13-24(12-15,14-23)27-22(29)18-3-7-20(30)8-4-18/h1-8,15-16H,9-14,30H2,(H,26,28)(H,27,29)
InChIKeyYTYLKDVUUNHEKV-UHFFFAOYSA-N
XLogP3.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[(5R,7S)-3-[[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]amino]-1-adamantyl]benzamide;hydrochloride
CID 175969689
N-(1-adamantyl)-4-sulfanylbenzamide
CID 107019898
N-[3-[[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]amino]-1-adamantyl]-4-(4-fluorophenyl)benzamide
CID 174308257
N-(3-amino-1-adamantyl)benzamide
CID 67481027
N-(1-adamantyl)-4-chlorobenzamide
CID 2848134
N-[[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]-4-fluorobenzamide
CID 3108550
N-(1-adamantyl)-4-fluoro-2-methylbenzamide
CID 115745078
4-(1-bicyclo[1.1.1]pentanylcarbamoyl)benzoic acid
CID 178070536
N-(1-adamantyl)-4-(aminomethyl)benzamide;hydrochloride
CID 119261555
4-acetamido-N-(1-adamantyl)benzamide
CID 7732501
N-(1-adamantyl)-5-fluoro-2-hydroxybenzamide
CID 115298818
4-[[[2-(3-fluorophenyl)-2-oxoethyl]amino]methyl]-N-(3-hydroxy-1-adamantyl)benzamide
CID 68800861

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[(4-phosphanylbenzoyl)amino]-1-adamantyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[(4-phosphanylbenzoyl)amino]-1-adamantyl]benzamide (CID 170245219) is 4-fluoro-N-[3-[(4-phosphanylbenzoyl)amino]-1-adamantyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[(4-phosphanylbenzoyl)amino]-1-adamantyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[(4-phosphanylbenzoyl)amino]-1-adamantyl]benzamide is O=C(NC12CC3CC(C1)CC(NC(=O)c1ccc(P)cc1)(C3)C2)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-[(4-phosphanylbenzoyl)amino]-1-adamantyl]benzamide?
The InChIKey is YTYLKDVUUNHEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN2O2P/c25-19-5-1-17(2-6-19)21(28)26-23-10-15-9-16(11-23)13-24(12-15,14-23)27-22(29)18-3-7-20(30)8-4-18/h1-8,15-16H,9-14,30H2,(H,26,28)(H,27,29).
What are the key properties of 4-fluoro-N-[3-[(4-phosphanylbenzoyl)amino]-1-adamantyl]benzamide?
4-fluoro-N-[3-[(4-phosphanylbenzoyl)amino]-1-adamantyl]benzamide has a molecular weight of 424.46 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[(4-phosphanylbenzoyl)amino]-1-adamantyl]benzamide is sourced from PubChem (CID 170245219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).