N'-(3,5-dichlorophenyl)-N-(4-fluorophenyl)propanediamide

C15H11Cl2FN2O2 — CID 108954855

IUPACN'-(3,5-dichlorophenyl)-N-(4-fluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1cc(Cl)cc(Cl)c1)Nc1ccc(F)cc1
InChIInChI=1S/C15H11Cl2FN2O2/c16-9-5-10(17)7-13(6-9)20-15(22)8-14(21)19-12-3-1-11(18)2-4-12/h1-7H,8H2,(H,19,21)(H,20,22)
InChIKeyMGOLKENFDSKTLV-UHFFFAOYSA-N
MW341.17 g/mol
LogP4.10
Rot. Bonds4

About N'-(3,5-dichlorophenyl)-N-(4-fluorophenyl)propanediamide

N'-(3,5-dichlorophenyl)-N-(4-fluorophenyl)propanediamide (PubChem CID 108954855) has the molecular formula C15H11Cl2FN2O2 and a molecular weight of 341.17 g/mol. Its IUPAC name is N'-(3,5-dichlorophenyl)-N-(4-fluorophenyl)propanediamide.

Molecular Properties

Compound NameN'-(3,5-dichlorophenyl)-N-(4-fluorophenyl)propanediamide
PubChem CID108954855
Molecular FormulaC15H11Cl2FN2O2
Molecular Weight341.17 g/mol
Exact Mass340.02
IUPAC NameN'-(3,5-dichlorophenyl)-N-(4-fluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1cc(Cl)cc(Cl)c1)Nc1ccc(F)cc1
InChIInChI=1S/C15H11Cl2FN2O2/c16-9-5-10(17)7-13(6-9)20-15(22)8-14(21)19-12-3-1-11(18)2-4-12/h1-7H,8H2,(H,19,21)(H,20,22)
InChIKeyMGOLKENFDSKTLV-UHFFFAOYSA-N
XLogP4.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 54.10
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

3-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide
CID 109037696
N-(4-fluorophenyl)-2-(2,4,6-trichloroanilino)acetamide
CID 28992739
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
2-chloro-N-(4-fluorophenyl)acetamide
CID 532065
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide
CID 108954847
N'-(4-fluorophenyl)propanediamide
CID 18174009
N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954018
N-(3-acetamidophenyl)-N'-(3,5-dichlorophenyl)propanediamide
CID 108956248
2-(3-chloro-5-fluoroanilino)-N-(4-chlorophenyl)acetamide
CID 107365048
3-bromo-N-(3,5-dichlorophenyl)propanamide
CID 112698581
N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide
CID 108940880
2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 993101

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dichlorophenyl)-N-(4-fluorophenyl)propanediamide?
The IUPAC name of N'-(3,5-dichlorophenyl)-N-(4-fluorophenyl)propanediamide (CID 108954855) is N'-(3,5-dichlorophenyl)-N-(4-fluorophenyl)propanediamide.
What is the SMILES notation for N'-(3,5-dichlorophenyl)-N-(4-fluorophenyl)propanediamide?
The canonical SMILES for N'-(3,5-dichlorophenyl)-N-(4-fluorophenyl)propanediamide is O=C(CC(=O)Nc1cc(Cl)cc(Cl)c1)Nc1ccc(F)cc1.
What is the InChIKey of N'-(3,5-dichlorophenyl)-N-(4-fluorophenyl)propanediamide?
The InChIKey is MGOLKENFDSKTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN2O2/c16-9-5-10(17)7-13(6-9)20-15(22)8-14(21)19-12-3-1-11(18)2-4-12/h1-7H,8H2,(H,19,21)(H,20,22).
What are the key properties of N'-(3,5-dichlorophenyl)-N-(4-fluorophenyl)propanediamide?
N'-(3,5-dichlorophenyl)-N-(4-fluorophenyl)propanediamide has a molecular weight of 341.17 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dichlorophenyl)-N-(4-fluorophenyl)propanediamide is sourced from PubChem (CID 108954855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).