N'-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide

C16H14F2N2O2 — CID 108946285

IUPACN'-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide
SMILESO=C(CC(=O)Nc1ccc(F)cc1)NCc1ccccc1F
InChIInChI=1S/C16H14F2N2O2/c17-12-5-7-13(8-6-12)20-16(22)9-15(21)19-10-11-3-1-2-4-14(11)18/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeySHUGFTJEMGNDQP-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.61
Rot. Bonds5

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

N'-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide (PubChem CID 108946285) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide
PubChem CID108946285
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC NameN'-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide
SMILESO=C(CC(=O)Nc1ccc(F)cc1)NCc1ccccc1F
InChIInChI=1S/C16H14F2N2O2/c17-12-5-7-13(8-6-12)20-16(22)9-15(21)19-10-11-3-1-2-4-14(11)18/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeySHUGFTJEMGNDQP-UHFFFAOYSA-N
XLogP2.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.61
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-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946916
N-[4-(4-fluoroanilino)phenyl]-2-(2-fluorophenyl)acetamide
CID 112986867
N'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947514
2-(2-fluorophenyl)-N-(4-hydroxyphenyl)acetamide
CID 28739611
N'-(2-ethyl-6-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946276
N'-(2,3-dichlorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946354
N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide
CID 115139087
4-[[2-(2-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide
CID 87005359
2-(4-acetamidophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 2537006
N-(4-fluorophenyl)-4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50832895
N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 3562962
N'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide
CID 108946249

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide?
The IUPAC name of N'-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide (CID 108946285) is N'-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide.
What is the SMILES notation for N'-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide?
The canonical SMILES for N'-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide is O=C(CC(=O)Nc1ccc(F)cc1)NCc1ccccc1F.
What is the InChIKey of N'-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide?
The InChIKey is SHUGFTJEMGNDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c17-12-5-7-13(8-6-12)20-16(22)9-15(21)19-10-11-3-1-2-4-14(11)18/h1-8H,9-10H2,(H,19,21)(H,20,22).
What are the key properties of N'-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide?
N'-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide has a molecular weight of 304.30 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide is sourced from PubChem (CID 108946285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).