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

C17H15Cl2FN2O2 — CID 108948495

IUPACN'-(2,3-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
SMILESO=C(CC(=O)Nc1cccc(Cl)c1Cl)NCCc1ccc(F)cc1
InChIInChI=1S/C17H15Cl2FN2O2/c18-13-2-1-3-14(17(13)19)22-16(24)10-15(23)21-9-8-11-4-6-12(20)7-5-11/h1-7H,8-10H2,(H,21,23)(H,22,24)
InChIKeyGLVZTSWNJJHARG-UHFFFAOYSA-N
MW369.22 g/mol
LogP3.82
Rot. Bonds6

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

N'-(2,3-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide (PubChem CID 108948495) has the molecular formula C17H15Cl2FN2O2 and a molecular weight of 369.22 g/mol. Its IUPAC name is N'-(2,3-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide.

Molecular Properties

Compound NameN'-(2,3-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
PubChem CID108948495
Molecular FormulaC17H15Cl2FN2O2
Molecular Weight369.22 g/mol
Exact Mass368.05
IUPAC NameN'-(2,3-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
SMILESO=C(CC(=O)Nc1cccc(Cl)c1Cl)NCCc1ccc(F)cc1
InChIInChI=1S/C17H15Cl2FN2O2/c18-13-2-1-3-14(17(13)19)22-16(24)10-15(23)21-9-8-11-4-6-12(20)7-5-11/h1-7H,8-10H2,(H,21,23)(H,22,24)
InChIKeyGLVZTSWNJJHARG-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

1-N-(2,3-dichlorophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137792
N'-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
CID 108948432
N-(2,3-dichlorophenyl)-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997822
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 9037832
1-[2-(4-bromophenyl)ethyl]-3-(2,3-dichlorophenyl)urea
CID 108902238
2,6-dichloro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 1122033
[2-(2,3-dichloroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9252010
N-[2-(4-chlorophenyl)ethyl]-N'-(2,6-difluorophenyl)propanediamide
CID 108949880
N-[2-(4-chlorophenyl)ethyl]-3-(2,3-dichloroanilino)propanamide
CID 109027992
N'-(2,3-dichlorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946354
N-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025148
N-[(2-chlorophenyl)methyl]-N'-(2,3-dichlorophenyl)propanediamide
CID 108946674

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide?
The IUPAC name of N'-(2,3-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide (CID 108948495) is N'-(2,3-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide.
What is the SMILES notation for N'-(2,3-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide?
The canonical SMILES for N'-(2,3-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide is O=C(CC(=O)Nc1cccc(Cl)c1Cl)NCCc1ccc(F)cc1.
What is the InChIKey of N'-(2,3-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide?
The InChIKey is GLVZTSWNJJHARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN2O2/c18-13-2-1-3-14(17(13)19)22-16(24)10-15(23)21-9-8-11-4-6-12(20)7-5-11/h1-7H,8-10H2,(H,21,23)(H,22,24).
What are the key properties of N'-(2,3-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide?
N'-(2,3-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]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'-(2,3-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide is sourced from PubChem (CID 108948495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).