3-(3,5-dichlorophenyl)-N-[(3-fluorophenyl)methyl]-4-hydroxybenzamide

C20H14Cl2FNO2 — CID 44534353

IUPAC3-(3,5-dichlorophenyl)-N-[(3-fluorophenyl)methyl]-4-hydroxybenzamide
SMILESO=C(NCc1cccc(F)c1)c1ccc(O)c(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C20H14Cl2FNO2/c21-15-7-14(8-16(22)10-15)18-9-13(4-5-19(18)25)20(26)24-11-12-2-1-3-17(23)6-12/h1-10,25H,11H2,(H,24,26)
InChIKeyXSLREBBIUJADEP-UHFFFAOYSA-N
MW390.24 g/mol
LogP5.44
Rot. Bonds4

About 3-(3,5-dichlorophenyl)-N-[(3-fluorophenyl)methyl]-4-hydroxybenzamide

3-(3,5-dichlorophenyl)-N-[(3-fluorophenyl)methyl]-4-hydroxybenzamide (PubChem CID 44534353) has the molecular formula C20H14Cl2FNO2 and a molecular weight of 390.24 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-N-[(3-fluorophenyl)methyl]-4-hydroxybenzamide.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-N-[(3-fluorophenyl)methyl]-4-hydroxybenzamide
PubChem CID44534353
Molecular FormulaC20H14Cl2FNO2
Molecular Weight390.24 g/mol
Exact Mass389.04
IUPAC Name3-(3,5-dichlorophenyl)-N-[(3-fluorophenyl)methyl]-4-hydroxybenzamide
SMILESO=C(NCc1cccc(F)c1)c1ccc(O)c(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C20H14Cl2FNO2/c21-15-7-14(8-16(22)10-15)18-9-13(4-5-19(18)25)20(26)24-11-12-2-1-3-17(23)6-12/h1-10,25H,11H2,(H,24,26)
InChIKeyXSLREBBIUJADEP-UHFFFAOYSA-N
XLogP5.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.24
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-N-[(3-fluorophenyl)methyl]-4-hydroxybenzamide?
The IUPAC name of 3-(3,5-dichlorophenyl)-N-[(3-fluorophenyl)methyl]-4-hydroxybenzamide (CID 44534353) is 3-(3,5-dichlorophenyl)-N-[(3-fluorophenyl)methyl]-4-hydroxybenzamide.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-N-[(3-fluorophenyl)methyl]-4-hydroxybenzamide?
The canonical SMILES for 3-(3,5-dichlorophenyl)-N-[(3-fluorophenyl)methyl]-4-hydroxybenzamide is O=C(NCc1cccc(F)c1)c1ccc(O)c(-c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-N-[(3-fluorophenyl)methyl]-4-hydroxybenzamide?
The InChIKey is XSLREBBIUJADEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2FNO2/c21-15-7-14(8-16(22)10-15)18-9-13(4-5-19(18)25)20(26)24-11-12-2-1-3-17(23)6-12/h1-10,25H,11H2,(H,24,26).
What are the key properties of 3-(3,5-dichlorophenyl)-N-[(3-fluorophenyl)methyl]-4-hydroxybenzamide?
3-(3,5-dichlorophenyl)-N-[(3-fluorophenyl)methyl]-4-hydroxybenzamide has a molecular weight of 390.24 g/mol, XLogP of 5.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-N-[(3-fluorophenyl)methyl]-4-hydroxybenzamide is sourced from PubChem (CID 44534353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).