N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide

C17H17FN2O2 — CID 108954018

IUPACN-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide
SMILESCCc1ccc(NC(=O)CC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O2/c1-2-12-3-7-14(8-4-12)19-16(21)11-17(22)20-15-9-5-13(18)6-10-15/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyBBZANCNGSWCWFT-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.36
Rot. Bonds5

About N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide

N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide (PubChem CID 108954018) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide
PubChem CID108954018
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC NameN-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide
SMILESCCc1ccc(NC(=O)CC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O2/c1-2-12-3-7-14(8-4-12)19-16(21)11-17(22)20-15-9-5-13(18)6-10-15/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyBBZANCNGSWCWFT-UHFFFAOYSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-N'-(3-fluorophenyl)propanediamide
CID 108954059
N-(4-ethylphenyl)-2-(4-fluorophenoxy)acetamide
CID 893586
N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26697243
N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide
CID 7731180
N-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide
CID 23409064
N-(4-ethylphenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195926
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 113119327
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-ethylphenyl)acetamide
CID 113164399
cyclopropyl-[2-(4-ethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872573
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide
CID 108940880

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide?
The IUPAC name of N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide (CID 108954018) is N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide.
What is the SMILES notation for N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide?
The canonical SMILES for N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide is CCc1ccc(NC(=O)CC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide?
The InChIKey is BBZANCNGSWCWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-2-12-3-7-14(8-4-12)19-16(21)11-17(22)20-15-9-5-13(18)6-10-15/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide?
N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide has a molecular weight of 300.33 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide is sourced from PubChem (CID 108954018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).