N-[2-(4-chlorophenyl)ethyl]-N'-(2,6-difluorophenyl)propanediamide

C17H15ClF2N2O2 — CID 108949880

IUPACN-[2-(4-chlorophenyl)ethyl]-N'-(2,6-difluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1c(F)cccc1F)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF2N2O2/c18-12-6-4-11(5-7-12)8-9-21-15(23)10-16(24)22-17-13(19)2-1-3-14(17)20/h1-7H,8-10H2,(H,21,23)(H,22,24)
InChIKeyONHHAFOYSYYLMY-UHFFFAOYSA-N
MW352.77 g/mol
LogP3.31
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-N'-(2,6-difluorophenyl)propanediamide

N-[2-(4-chlorophenyl)ethyl]-N'-(2,6-difluorophenyl)propanediamide (PubChem CID 108949880) has the molecular formula C17H15ClF2N2O2 and a molecular weight of 352.77 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N'-(2,6-difluorophenyl)propanediamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N'-(2,6-difluorophenyl)propanediamide
PubChem CID108949880
Molecular FormulaC17H15ClF2N2O2
Molecular Weight352.77 g/mol
Exact Mass352.08
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N'-(2,6-difluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1c(F)cccc1F)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF2N2O2/c18-12-6-4-11(5-7-12)8-9-21-15(23)10-16(24)22-17-13(19)2-1-3-14(17)20/h1-7H,8-10H2,(H,21,23)(H,22,24)
InChIKeyONHHAFOYSYYLMY-UHFFFAOYSA-N
XLogP3.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 53.31
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-(4-chlorophenyl)ethyl]-N'-(3,5-dichlorophenyl)propanediamide
CID 108949870
N'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide
CID 108947987
N'-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
CID 108948432
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
N'-(2,3-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
CID 108948495
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
N-[2-(4-chlorophenyl)ethyl]-N'-(3-methoxyphenyl)propanediamide
CID 108949835
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
N-[(4-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide
CID 109021782
N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]propanediamide
CID 108949854
methyl 2-[[3-[2-(4-chlorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108949851
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-(2,6-difluorophenyl)propanediamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-(2,6-difluorophenyl)propanediamide (CID 108949880) is N-[2-(4-chlorophenyl)ethyl]-N'-(2,6-difluorophenyl)propanediamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N'-(2,6-difluorophenyl)propanediamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N'-(2,6-difluorophenyl)propanediamide is O=C(CC(=O)Nc1c(F)cccc1F)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N'-(2,6-difluorophenyl)propanediamide?
The InChIKey is ONHHAFOYSYYLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O2/c18-12-6-4-11(5-7-12)8-9-21-15(23)10-16(24)22-17-13(19)2-1-3-14(17)20/h1-7H,8-10H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N'-(2,6-difluorophenyl)propanediamide?
N-[2-(4-chlorophenyl)ethyl]-N'-(2,6-difluorophenyl)propanediamide has a molecular weight of 352.77 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N'-(2,6-difluorophenyl)propanediamide is sourced from PubChem (CID 108949880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).