N-[5-chloro-2-(4-methylphenoxy)phenyl]-2,4-difluorobenzamide

C20H14ClF2NO2 — CID 2455908

IUPACN-[5-chloro-2-(4-methylphenoxy)phenyl]-2,4-difluorobenzamide
SMILESCc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C20H14ClF2NO2/c1-12-2-6-15(7-3-12)26-19-9-4-13(21)10-18(19)24-20(25)16-8-5-14(22)11-17(16)23/h2-11H,1H3,(H,24,25)
InChIKeyOKRJXIUTMOHKLC-UHFFFAOYSA-N
MW373.79 g/mol
LogP5.97
Rot. Bonds4

About N-[5-chloro-2-(4-methylphenoxy)phenyl]-2,4-difluorobenzamide

N-[5-chloro-2-(4-methylphenoxy)phenyl]-2,4-difluorobenzamide (PubChem CID 2455908) has the molecular formula C20H14ClF2NO2 and a molecular weight of 373.79 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylphenoxy)phenyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylphenoxy)phenyl]-2,4-difluorobenzamide
PubChem CID2455908
Molecular FormulaC20H14ClF2NO2
Molecular Weight373.79 g/mol
Exact Mass373.07
IUPAC NameN-[5-chloro-2-(4-methylphenoxy)phenyl]-2,4-difluorobenzamide
SMILESCc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C20H14ClF2NO2/c1-12-2-6-15(7-3-12)26-19-9-4-13(21)10-18(19)24-20(25)16-8-5-14(22)11-17(16)23/h2-11H,1H3,(H,24,25)
InChIKeyOKRJXIUTMOHKLC-UHFFFAOYSA-N
XLogP5.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.79
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methylphenoxy)phenyl]-2,4-difluorobenzamide?
The IUPAC name of N-[5-chloro-2-(4-methylphenoxy)phenyl]-2,4-difluorobenzamide (CID 2455908) is N-[5-chloro-2-(4-methylphenoxy)phenyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylphenoxy)phenyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[5-chloro-2-(4-methylphenoxy)phenyl]-2,4-difluorobenzamide is Cc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of N-[5-chloro-2-(4-methylphenoxy)phenyl]-2,4-difluorobenzamide?
The InChIKey is OKRJXIUTMOHKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2NO2/c1-12-2-6-15(7-3-12)26-19-9-4-13(21)10-18(19)24-20(25)16-8-5-14(22)11-17(16)23/h2-11H,1H3,(H,24,25).
What are the key properties of N-[5-chloro-2-(4-methylphenoxy)phenyl]-2,4-difluorobenzamide?
N-[5-chloro-2-(4-methylphenoxy)phenyl]-2,4-difluorobenzamide has a molecular weight of 373.79 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methylphenoxy)phenyl]-2,4-difluorobenzamide is sourced from PubChem (CID 2455908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).