2-[4-(3,5-dichlorophenyl)-3-fluorophenyl]propanamide

C15H12Cl2FNO — CID 11565846

IUPAC2-[4-(3,5-dichlorophenyl)-3-fluorophenyl]propanamide
SMILESCC(C(N)=O)c1ccc(-c2cc(Cl)cc(Cl)c2)c(F)c1
InChIInChI=1S/C15H12Cl2FNO/c1-8(15(19)20)9-2-3-13(14(18)6-9)10-4-11(16)7-12(17)5-10/h2-8H,1H3,(H2,19,20)
InChIKeyADVYTFXYFVVYDN-UHFFFAOYSA-N
MW312.17 g/mol
LogP4.39
Rot. Bonds3

About 2-[4-(3,5-dichlorophenyl)-3-fluorophenyl]propanamide

2-[4-(3,5-dichlorophenyl)-3-fluorophenyl]propanamide (PubChem CID 11565846) has the molecular formula C15H12Cl2FNO and a molecular weight of 312.17 g/mol. Its IUPAC name is 2-[4-(3,5-dichlorophenyl)-3-fluorophenyl]propanamide.

Molecular Properties

Compound Name2-[4-(3,5-dichlorophenyl)-3-fluorophenyl]propanamide
PubChem CID11565846
Molecular FormulaC15H12Cl2FNO
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name2-[4-(3,5-dichlorophenyl)-3-fluorophenyl]propanamide
SMILESCC(C(N)=O)c1ccc(-c2cc(Cl)cc(Cl)c2)c(F)c1
InChIInChI=1S/C15H12Cl2FNO/c1-8(15(19)20)9-2-3-13(14(18)6-9)10-4-11(16)7-12(17)5-10/h2-8H,1H3,(H2,19,20)
InChIKeyADVYTFXYFVVYDN-UHFFFAOYSA-N
XLogP4.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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5H-Dibenzo(a,d)cycloheptene-5-carboxamide, 10,11-dihydro-3-chloro-
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2-(3-Chlorophenyl)-3-methylbutanamide
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Benzeneacetamide, 4-chloro-alpha-(4-chlorophenyl)-
CID 182699
2-(3-Chlorophenyl)acetamide
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(R)-2-(4-chloro-phenyl)-propionamide
CID 11052302
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CID 101922752

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dichlorophenyl)-3-fluorophenyl]propanamide?
The IUPAC name of 2-[4-(3,5-dichlorophenyl)-3-fluorophenyl]propanamide (CID 11565846) is 2-[4-(3,5-dichlorophenyl)-3-fluorophenyl]propanamide.
What is the SMILES notation for 2-[4-(3,5-dichlorophenyl)-3-fluorophenyl]propanamide?
The canonical SMILES for 2-[4-(3,5-dichlorophenyl)-3-fluorophenyl]propanamide is CC(C(N)=O)c1ccc(-c2cc(Cl)cc(Cl)c2)c(F)c1.
What is the InChIKey of 2-[4-(3,5-dichlorophenyl)-3-fluorophenyl]propanamide?
The InChIKey is ADVYTFXYFVVYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO/c1-8(15(19)20)9-2-3-13(14(18)6-9)10-4-11(16)7-12(17)5-10/h2-8H,1H3,(H2,19,20).
What are the key properties of 2-[4-(3,5-dichlorophenyl)-3-fluorophenyl]propanamide?
2-[4-(3,5-dichlorophenyl)-3-fluorophenyl]propanamide has a molecular weight of 312.17 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dichlorophenyl)-3-fluorophenyl]propanamide is sourced from PubChem (CID 11565846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).