N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)propanediamide

C21H17FN2O3 — CID 108954775

IUPACN'-(2-fluorophenyl)-N-(4-phenoxyphenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccccc1F)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H17FN2O3/c22-18-8-4-5-9-19(18)24-21(26)14-20(25)23-15-10-12-17(13-11-15)27-16-6-2-1-3-7-16/h1-13H,14H2,(H,23,25)(H,24,26)
InChIKeyBZIOYVFTNYYFHP-UHFFFAOYSA-N
MW364.38 g/mol
LogP4.59
Rot. Bonds6

About N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)propanediamide

N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)propanediamide (PubChem CID 108954775) has the molecular formula C21H17FN2O3 and a molecular weight of 364.38 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)propanediamide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-N-(4-phenoxyphenyl)propanediamide
PubChem CID108954775
Molecular FormulaC21H17FN2O3
Molecular Weight364.38 g/mol
Exact Mass364.12
IUPAC NameN'-(2-fluorophenyl)-N-(4-phenoxyphenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccccc1F)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H17FN2O3/c22-18-8-4-5-9-19(18)24-21(26)14-20(25)23-15-10-12-17(13-11-15)27-16-6-2-1-3-7-16/h1-13H,14H2,(H,23,25)(H,24,26)
InChIKeyBZIOYVFTNYYFHP-UHFFFAOYSA-N
XLogP4.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butylphenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954690
N-(2-fluorophenyl)-4-phenoxybenzamide
CID 7915018
N-[4-(dimethylamino)phenyl]-N'-(2-fluorophenyl)propanediamide
CID 108954767
2-fluoro-N-[2-oxo-2-(4-phenoxyanilino)ethyl]benzamide
CID 9413646
[2-(2-fluoroanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2658345
2-(2-chloro-6-fluorophenyl)-N-(4-phenoxyphenyl)acetamide
CID 7914940
N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine
CID 54805518
N-(4-pyridin-4-yloxyphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 11315983
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium
CID 7999133
2-(2-chloroanilino)-N-(4-phenoxyphenyl)acetamide
CID 54810461
N-[4-(4-bromophenoxy)phenyl]-2-(2-fluorophenyl)acetamide
CID 7964936
(Z)-2-cyano-3-(2-fluoroanilino)-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849665

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)propanediamide?
The IUPAC name of N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)propanediamide (CID 108954775) is N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)propanediamide.
What is the SMILES notation for N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)propanediamide?
The canonical SMILES for N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)propanediamide is O=C(CC(=O)Nc1ccccc1F)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)propanediamide?
The InChIKey is BZIOYVFTNYYFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O3/c22-18-8-4-5-9-19(18)24-21(26)14-20(25)23-15-10-12-17(13-11-15)27-16-6-2-1-3-7-16/h1-13H,14H2,(H,23,25)(H,24,26).
What are the key properties of N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)propanediamide?
N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)propanediamide has a molecular weight of 364.38 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)propanediamide is sourced from PubChem (CID 108954775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).