N'-(3,4-difluorophenyl)-N-(3-phenylpropyl)propanediamide

C18H18F2N2O2 — CID 108951290

IUPACN'-(3,4-difluorophenyl)-N-(3-phenylpropyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(F)c(F)c1)NCCCc1ccccc1
InChIInChI=1S/C18H18F2N2O2/c19-15-9-8-14(11-16(15)20)22-18(24)12-17(23)21-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,21,23)(H,22,24)
InChIKeyBRJDLFOGKFCYEN-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.04
Rot. Bonds7

About N'-(3,4-difluorophenyl)-N-(3-phenylpropyl)propanediamide

N'-(3,4-difluorophenyl)-N-(3-phenylpropyl)propanediamide (PubChem CID 108951290) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is N'-(3,4-difluorophenyl)-N-(3-phenylpropyl)propanediamide.

Molecular Properties

Compound NameN'-(3,4-difluorophenyl)-N-(3-phenylpropyl)propanediamide
PubChem CID108951290
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC NameN'-(3,4-difluorophenyl)-N-(3-phenylpropyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(F)c(F)c1)NCCCc1ccccc1
InChIInChI=1S/C18H18F2N2O2/c19-15-9-8-14(11-16(15)20)22-18(24)12-17(23)21-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,21,23)(H,22,24)
InChIKeyBRJDLFOGKFCYEN-UHFFFAOYSA-N
XLogP3.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,4-difluorophenyl)-N-pentylpropanediamide
CID 108951995
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N-(3,4-difluorophenyl)-2-(3-phenylpropylsulfonyl)acetamide
CID 38955056
N'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide
CID 108947987
methyl 3-[[3-oxo-3-(3-phenylpropylamino)propanoyl]amino]benzoate
CID 108951245
N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 668304
N-(3,4-difluorophenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287128
2-(benzylcarbamothioylamino)-N-(3,4-difluorophenyl)acetamide
CID 8771439
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide
CID 27647223
N-(3,4-difluorophenyl)-2-(phenylcarbamoylamino)acetamide
CID 17451179
N'-(2-bromophenyl)-N-(3,4-difluorophenyl)propanediamide
CID 108956631

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-difluorophenyl)-N-(3-phenylpropyl)propanediamide?
The IUPAC name of N'-(3,4-difluorophenyl)-N-(3-phenylpropyl)propanediamide (CID 108951290) is N'-(3,4-difluorophenyl)-N-(3-phenylpropyl)propanediamide.
What is the SMILES notation for N'-(3,4-difluorophenyl)-N-(3-phenylpropyl)propanediamide?
The canonical SMILES for N'-(3,4-difluorophenyl)-N-(3-phenylpropyl)propanediamide is O=C(CC(=O)Nc1ccc(F)c(F)c1)NCCCc1ccccc1.
What is the InChIKey of N'-(3,4-difluorophenyl)-N-(3-phenylpropyl)propanediamide?
The InChIKey is BRJDLFOGKFCYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c19-15-9-8-14(11-16(15)20)22-18(24)12-17(23)21-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,21,23)(H,22,24).
What are the key properties of N'-(3,4-difluorophenyl)-N-(3-phenylpropyl)propanediamide?
N'-(3,4-difluorophenyl)-N-(3-phenylpropyl)propanediamide has a molecular weight of 332.35 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-difluorophenyl)-N-(3-phenylpropyl)propanediamide is sourced from PubChem (CID 108951290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).