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

C18H18ClFN2O2 — CID 108946545

IUPACN'-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]propanediamide
SMILESO=C(CC(=O)NCc1ccccc1Cl)NCCc1ccc(F)cc1
InChIInChI=1S/C18H18ClFN2O2/c19-16-4-2-1-3-14(16)12-22-18(24)11-17(23)21-10-9-13-5-7-15(20)8-6-13/h1-8H,9-12H2,(H,21,23)(H,22,24)
InChIKeyFLMUTRGKUCYFPW-UHFFFAOYSA-N
MW348.81 g/mol
LogP2.84
Rot. Bonds7

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

N'-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]propanediamide (PubChem CID 108946545) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]propanediamide.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]propanediamide
PubChem CID108946545
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC NameN'-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]propanediamide
SMILESO=C(CC(=O)NCc1ccccc1Cl)NCCc1ccc(F)cc1
InChIInChI=1S/C18H18ClFN2O2/c19-16-4-2-1-3-14(16)12-22-18(24)11-17(23)21-10-9-13-5-7-15(20)8-6-13/h1-8H,9-12H2,(H,21,23)(H,22,24)
InChIKeyFLMUTRGKUCYFPW-UHFFFAOYSA-N
XLogP2.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 52.84
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

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1-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4880709
N-benzyl-3-(2-chlorophenyl)acrylamide
CID 5333112
2-(3-Chloro-phenyl)-N-[1-(4-fluoro-benzyl)-piperidin-4-yl]-acetamide
CID 9841846
N-(1-benzylpiperidin-4-yl)-2-(2-chlorophenyl)acetamide
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N-[(2,6-dichlorophenyl)methyl]-N',N'-dimethylpropanediamide
CID 44523130

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]propanediamide?
The IUPAC name of N'-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]propanediamide (CID 108946545) is N'-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]propanediamide.
What is the SMILES notation for N'-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]propanediamide?
The canonical SMILES for N'-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]propanediamide is O=C(CC(=O)NCc1ccccc1Cl)NCCc1ccc(F)cc1.
What is the InChIKey of N'-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]propanediamide?
The InChIKey is FLMUTRGKUCYFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c19-16-4-2-1-3-14(16)12-22-18(24)11-17(23)21-10-9-13-5-7-15(20)8-6-13/h1-8H,9-12H2,(H,21,23)(H,22,24).
What are the key properties of N'-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]propanediamide?
N'-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]propanediamide has a molecular weight of 348.81 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)ethyl]propanediamide is sourced from PubChem (CID 108946545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).