N'-(2-ethyl-6-methylphenyl)-N-(3-fluorophenyl)propanediamide

C18H19FN2O2 — CID 108954227

IUPACN'-(2-ethyl-6-methylphenyl)-N-(3-fluorophenyl)propanediamide
SMILESCCc1cccc(C)c1NC(=O)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H19FN2O2/c1-3-13-7-4-6-12(2)18(13)21-17(23)11-16(22)20-15-9-5-8-14(19)10-15/h4-10H,3,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRXEQZBDVMQXXLI-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.66
Rot. Bonds5

About N'-(2-ethyl-6-methylphenyl)-N-(3-fluorophenyl)propanediamide

N'-(2-ethyl-6-methylphenyl)-N-(3-fluorophenyl)propanediamide (PubChem CID 108954227) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N'-(2-ethyl-6-methylphenyl)-N-(3-fluorophenyl)propanediamide.

Molecular Properties

Compound NameN'-(2-ethyl-6-methylphenyl)-N-(3-fluorophenyl)propanediamide
PubChem CID108954227
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN'-(2-ethyl-6-methylphenyl)-N-(3-fluorophenyl)propanediamide
SMILESCCc1cccc(C)c1NC(=O)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H19FN2O2/c1-3-13-7-4-6-12(2)18(13)21-17(23)11-16(22)20-15-9-5-8-14(19)10-15/h4-10H,3,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRXEQZBDVMQXXLI-UHFFFAOYSA-N
XLogP3.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.66
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'-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945493
N-(4-ethylphenyl)-N'-(3-fluorophenyl)propanediamide
CID 108954059
N-ethyl-N'-(3-fluorophenyl)propanediamide
CID 67472700
2-(2-ethylanilino)-N-(3-fluorophenyl)acetamide
CID 9105176
3-(2,5-difluorophenyl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 60564582
N'-(2,6-dimethylphenyl)-N-(3-fluorophenyl)oxamide
CID 108531930
N'-(4-bromo-3-methylphenyl)-N-(3-fluorophenyl)propanediamide
CID 108956592
N'-(2-ethyl-6-methylphenyl)-N-(2,3,4-trifluorophenyl)propanediamide
CID 108954255
N'-(2-ethyl-6-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946276
N-(2-ethyl-6-methylphenyl)-4-fluoro-2-methylbenzamide
CID 115573702
N-(3-acetamidophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 54819356
(3-fluorophenyl)carbamic acid;hydrochloride
CID 70589934

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethyl-6-methylphenyl)-N-(3-fluorophenyl)propanediamide?
The IUPAC name of N'-(2-ethyl-6-methylphenyl)-N-(3-fluorophenyl)propanediamide (CID 108954227) is N'-(2-ethyl-6-methylphenyl)-N-(3-fluorophenyl)propanediamide.
What is the SMILES notation for N'-(2-ethyl-6-methylphenyl)-N-(3-fluorophenyl)propanediamide?
The canonical SMILES for N'-(2-ethyl-6-methylphenyl)-N-(3-fluorophenyl)propanediamide is CCc1cccc(C)c1NC(=O)CC(=O)Nc1cccc(F)c1.
What is the InChIKey of N'-(2-ethyl-6-methylphenyl)-N-(3-fluorophenyl)propanediamide?
The InChIKey is RXEQZBDVMQXXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-3-13-7-4-6-12(2)18(13)21-17(23)11-16(22)20-15-9-5-8-14(19)10-15/h4-10H,3,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(2-ethyl-6-methylphenyl)-N-(3-fluorophenyl)propanediamide?
N'-(2-ethyl-6-methylphenyl)-N-(3-fluorophenyl)propanediamide has a molecular weight of 314.36 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethyl-6-methylphenyl)-N-(3-fluorophenyl)propanediamide is sourced from PubChem (CID 108954227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).