N'-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide

C17H16ClFN2O2 — CID 108948432

IUPACN'-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
SMILESO=C(CC(=O)Nc1cccc(Cl)c1)NCCc1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2O2/c18-13-2-1-3-15(10-13)21-17(23)11-16(22)20-9-8-12-4-6-14(19)7-5-12/h1-7,10H,8-9,11H2,(H,20,22)(H,21,23)
InChIKeyIYJLCQBFOSPTSI-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.17
Rot. Bonds6

About N'-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide

N'-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide (PubChem CID 108948432) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
PubChem CID108948432
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC NameN'-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
SMILESO=C(CC(=O)Nc1cccc(Cl)c1)NCCc1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2O2/c18-13-2-1-3-15(10-13)21-17(23)11-16(22)20-9-8-12-4-6-14(19)7-5-12/h1-7,10H,8-9,11H2,(H,20,22)(H,21,23)
InChIKeyIYJLCQBFOSPTSI-UHFFFAOYSA-N
XLogP3.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.17
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'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)ethyl]propanediamide
CID 108952578
1-N-(3-chlorophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137746
N-[2-(4-chlorophenyl)ethyl]-N'-(3-methoxyphenyl)propanediamide
CID 108949835
N'-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
CID 108948414
N-[2-(4-chlorophenyl)ethyl]-N'-(3,5-dichlorophenyl)propanediamide
CID 108949870
N'-(2,3-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
CID 108948495
N-[2-(4-chlorophenyl)ethyl]-N'-(2,6-difluorophenyl)propanediamide
CID 108949880
1-(3-chlorophenyl)-3-[3-(4-fluorophenyl)propyl]thiourea
CID 100673593
N'-(4-bromo-3-methylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
CID 108948480
N-[2-(4-chlorophenyl)ethyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9250787
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250786
N-[2-(3-chlorophenyl)ethyl]-N'-[(4-fluorophenyl)methyl]oxamide
CID 108984928

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide?
The IUPAC name of N'-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide (CID 108948432) is N'-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide is O=C(CC(=O)Nc1cccc(Cl)c1)NCCc1ccc(F)cc1.
What is the InChIKey of N'-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide?
The InChIKey is IYJLCQBFOSPTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c18-13-2-1-3-15(10-13)21-17(23)11-16(22)20-9-8-12-4-6-14(19)7-5-12/h1-7,10H,8-9,11H2,(H,20,22)(H,21,23).
What are the key properties of N'-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide?
N'-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide has a molecular weight of 334.78 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide is sourced from PubChem (CID 108948432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).