N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-fluorophenyl)propanediamide

C17H15Cl2FN2O2 — CID 108952631

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-fluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccccc1F)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2FN2O2/c18-12-6-5-11(13(19)9-12)7-8-21-16(23)10-17(24)22-15-4-2-1-3-14(15)20/h1-6,9H,7-8,10H2,(H,21,23)(H,22,24)
InChIKeyPQBFNZCARSWZJL-UHFFFAOYSA-N
MW369.22 g/mol
LogP3.82
Rot. Bonds6

About N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-fluorophenyl)propanediamide

N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-fluorophenyl)propanediamide (PubChem CID 108952631) has the molecular formula C17H15Cl2FN2O2 and a molecular weight of 369.22 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-fluorophenyl)propanediamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-fluorophenyl)propanediamide
PubChem CID108952631
Molecular FormulaC17H15Cl2FN2O2
Molecular Weight369.22 g/mol
Exact Mass368.05
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-fluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccccc1F)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2FN2O2/c18-12-6-5-11(13(19)9-12)7-8-21-16(23)10-17(24)22-15-4-2-1-3-14(15)20/h1-6,9H,7-8,10H2,(H,21,23)(H,22,24)
InChIKeyPQBFNZCARSWZJL-UHFFFAOYSA-N
XLogP3.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 53.82
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-[2-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 2713418
N-[2-(2,4-dichlorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000163
2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000291
N'-(5-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948290
1-[(2,4-dichlorophenyl)methyl]-3-(2-fluorophenyl)urea
CID 47103647
N-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-2-fluorobenzamide
CID 4845951
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2,6-difluoroanilino)acetamide
CID 109007030
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylphenyl)acetamide
CID 109006897
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108952659
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2515179
3-(2,4-dichloroanilino)-N-(2-fluorophenyl)propanamide
CID 109037533
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 108989118

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-fluorophenyl)propanediamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-fluorophenyl)propanediamide (CID 108952631) is N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-fluorophenyl)propanediamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-fluorophenyl)propanediamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-fluorophenyl)propanediamide is O=C(CC(=O)Nc1ccccc1F)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-fluorophenyl)propanediamide?
The InChIKey is PQBFNZCARSWZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN2O2/c18-12-6-5-11(13(19)9-12)7-8-21-16(23)10-17(24)22-15-4-2-1-3-14(15)20/h1-6,9H,7-8,10H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-fluorophenyl)propanediamide?
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-fluorophenyl)propanediamide has a molecular weight of 369.22 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-fluorophenyl)propanediamide is sourced from PubChem (CID 108952631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).