N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]propanediamide

C18H18ClFN2O2 — CID 108946256

IUPACN-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]propanediamide
SMILESO=C(CC(=O)NCc1ccccc1F)NCCc1cccc(Cl)c1
InChIInChI=1S/C18H18ClFN2O2/c19-15-6-3-4-13(10-15)8-9-21-17(23)11-18(24)22-12-14-5-1-2-7-16(14)20/h1-7,10H,8-9,11-12H2,(H,21,23)(H,22,24)
InChIKeyLLJFHKQEYMVBCA-UHFFFAOYSA-N
MW348.81 g/mol
LogP2.84
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]propanediamide

N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]propanediamide (PubChem CID 108946256) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]propanediamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]propanediamide
PubChem CID108946256
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]propanediamide
SMILESO=C(CC(=O)NCc1ccccc1F)NCCc1cccc(Cl)c1
InChIInChI=1S/C18H18ClFN2O2/c19-15-6-3-4-13(10-15)8-9-21-17(23)11-18(24)22-12-14-5-1-2-7-16(14)20/h1-7,10H,8-9,11-12H2,(H,21,23)(H,22,24)
InChIKeyLLJFHKQEYMVBCA-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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CID 166899009
N-benzyl-N'-[(4-chlorophenyl)methyl]propanediamide
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1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
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US20230312528, Example 61
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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]propanediamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]propanediamide (CID 108946256) is N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]propanediamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]propanediamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]propanediamide is O=C(CC(=O)NCc1ccccc1F)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]propanediamide?
The InChIKey is LLJFHKQEYMVBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c19-15-6-3-4-13(10-15)8-9-21-17(23)11-18(24)22-12-14-5-1-2-7-16(14)20/h1-7,10H,8-9,11-12H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]propanediamide?
N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]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-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]propanediamide is sourced from PubChem (CID 108946256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).