N'-(2-ethyl-6-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide

C19H21FN2O2 — CID 108946276

IUPACN'-(2-ethyl-6-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide
SMILESCCc1cccc(C)c1NC(=O)CC(=O)NCc1ccccc1F
InChIInChI=1S/C19H21FN2O2/c1-3-14-9-6-7-13(2)19(14)22-18(24)11-17(23)21-12-15-8-4-5-10-16(15)20/h4-10H,3,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBFGIFNRVBIARFL-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.34
Rot. Bonds6

About N'-(2-ethyl-6-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide

N'-(2-ethyl-6-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide (PubChem CID 108946276) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N'-(2-ethyl-6-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-(2-ethyl-6-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide
PubChem CID108946276
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC NameN'-(2-ethyl-6-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide
SMILESCCc1cccc(C)c1NC(=O)CC(=O)NCc1ccccc1F
InChIInChI=1S/C19H21FN2O2/c1-3-14-9-6-7-13(2)19(14)22-18(24)11-17(23)21-12-15-8-4-5-10-16(15)20/h4-10H,3,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBFGIFNRVBIARFL-UHFFFAOYSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.34
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'-(2-ethyl-6-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945437
N'-(2-ethyl-6-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948276
N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948280
N'-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945445
N'-(2-ethyl-6-methylphenyl)-N-(2-methylpropyl)propanediamide
CID 108941644
N'-(2-ethyl-6-methylphenyl)-N-(2-phenylethyl)propanediamide
CID 108947975
N'-(2-ethyl-6-methylphenyl)-N-(2,3,4-trifluorophenyl)propanediamide
CID 108954255
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113162235
N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide;oxalic acid
CID 15945235
N'-(2-ethyl-6-methylphenyl)-N-(pyridin-3-ylmethyl)propanediamide
CID 108947663
N'-(2-ethyl-6-methylphenyl)-N-(3-fluorophenyl)propanediamide
CID 108954227
4-N-(2,6-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047191

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethyl-6-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide?
The IUPAC name of N'-(2-ethyl-6-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide (CID 108946276) is N'-(2-ethyl-6-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide.
What is the SMILES notation for N'-(2-ethyl-6-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide?
The canonical SMILES for N'-(2-ethyl-6-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide is CCc1cccc(C)c1NC(=O)CC(=O)NCc1ccccc1F.
What is the InChIKey of N'-(2-ethyl-6-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide?
The InChIKey is BFGIFNRVBIARFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-3-14-9-6-7-13(2)19(14)22-18(24)11-17(23)21-12-15-8-4-5-10-16(15)20/h4-10H,3,11-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2-ethyl-6-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide?
N'-(2-ethyl-6-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide has a molecular weight of 328.39 g/mol, XLogP of 3.34, 6 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-[(2-fluorophenyl)methyl]propanediamide is sourced from PubChem (CID 108946276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).