2-(2-chloro-6-fluorophenyl)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide

C22H16ClFN2O2 — CID 39001170

IUPAC2-(2-chloro-6-fluorophenyl)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide
SMILESN#Cc1cccc(COc2cccc(NC(=O)Cc3c(F)cccc3Cl)c2)c1
InChIInChI=1S/C22H16ClFN2O2/c23-20-8-3-9-21(24)19(20)12-22(27)26-17-6-2-7-18(11-17)28-14-16-5-1-4-15(10-16)13-25/h1-11H,12,14H2,(H,26,27)
InChIKeyDOVAAHICMGUIPA-UHFFFAOYSA-N
MW394.83 g/mol
LogP5.11
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide (PubChem CID 39001170) has the molecular formula C22H16ClFN2O2 and a molecular weight of 394.83 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide
PubChem CID39001170
Molecular FormulaC22H16ClFN2O2
Molecular Weight394.83 g/mol
Exact Mass394.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide
SMILESN#Cc1cccc(COc2cccc(NC(=O)Cc3c(F)cccc3Cl)c2)c1
InChIInChI=1S/C22H16ClFN2O2/c23-20-8-3-9-21(24)19(20)12-22(27)26-17-6-2-7-18(11-17)28-14-16-5-1-4-15(10-16)13-25/h1-11H,12,14H2,(H,26,27)
InChIKeyDOVAAHICMGUIPA-UHFFFAOYSA-N
XLogP5.11
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.83
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide (CID 39001170) is 2-(2-chloro-6-fluorophenyl)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide is N#Cc1cccc(COc2cccc(NC(=O)Cc3c(F)cccc3Cl)c2)c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide?
The InChIKey is DOVAAHICMGUIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O2/c23-20-8-3-9-21(24)19(20)12-22(27)26-17-6-2-7-18(11-17)28-14-16-5-1-4-15(10-16)13-25/h1-11H,12,14H2,(H,26,27).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide has a molecular weight of 394.83 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide is sourced from PubChem (CID 39001170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).