N'-(4-ethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide

C19H21FN2O3 — CID 108948303

IUPACN'-(4-ethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
SMILESCCOc1ccc(NC(=O)CC(=O)NCCc2ccccc2F)cc1
InChIInChI=1S/C19H21FN2O3/c1-2-25-16-9-7-15(8-10-16)22-19(24)13-18(23)21-12-11-14-5-3-4-6-17(14)20/h3-10H,2,11-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyMIOGVIHMUZSBIC-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.91
Rot. Bonds8

About N'-(4-ethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide

N'-(4-ethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide (PubChem CID 108948303) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N'-(4-ethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide.

Molecular Properties

Compound NameN'-(4-ethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
PubChem CID108948303
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN'-(4-ethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
SMILESCCOc1ccc(NC(=O)CC(=O)NCCc2ccccc2F)cc1
InChIInChI=1S/C19H21FN2O3/c1-2-25-16-9-7-15(8-10-16)22-19(24)13-18(23)21-12-11-14-5-3-4-6-17(14)20/h3-10H,2,11-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyMIOGVIHMUZSBIC-UHFFFAOYSA-N
XLogP2.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.91
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-[2-(2-fluorophenyl)ethyl]-N'-(4-propan-2-ylphenyl)propanediamide
CID 108948278
N-[2-(4-ethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110788126
N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948280
N'-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]oxamide
CID 2989314
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
2-(2-fluorophenyl)-N-(4-propoxyphenyl)acetamide
CID 110493409
N'-(4-ethoxyphenyl)-N-(3-methoxypropyl)propanediamide
CID 108943357
N'-(2-ethyl-6-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948276
N'-(3-cyanophenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948356
N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591885
methyl 2-[[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108948317

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide?
The IUPAC name of N'-(4-ethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide (CID 108948303) is N'-(4-ethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide.
What is the SMILES notation for N'-(4-ethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide?
The canonical SMILES for N'-(4-ethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide is CCOc1ccc(NC(=O)CC(=O)NCCc2ccccc2F)cc1.
What is the InChIKey of N'-(4-ethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide?
The InChIKey is MIOGVIHMUZSBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-2-25-16-9-7-15(8-10-16)22-19(24)13-18(23)21-12-11-14-5-3-4-6-17(14)20/h3-10H,2,11-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-(4-ethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide?
N'-(4-ethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide has a molecular weight of 344.39 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide is sourced from PubChem (CID 108948303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).