2,6-dichloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide

C15H9Cl2FN2O — CID 63359520

IUPAC2,6-dichloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
SMILESN#Cc1ccc(CNC(=O)c2c(Cl)cccc2Cl)c(F)c1
InChIInChI=1S/C15H9Cl2FN2O/c16-11-2-1-3-12(17)14(11)15(21)20-8-10-5-4-9(7-19)6-13(10)18/h1-6H,8H2,(H,20,21)
InChIKeyRTAYJUNOGXGAKV-UHFFFAOYSA-N
MW323.15 g/mol
LogP3.93
Rot. Bonds3

About 2,6-dichloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide

2,6-dichloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide (PubChem CID 63359520) has the molecular formula C15H9Cl2FN2O and a molecular weight of 323.15 g/mol. Its IUPAC name is 2,6-dichloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
PubChem CID63359520
Molecular FormulaC15H9Cl2FN2O
Molecular Weight323.15 g/mol
Exact Mass322.01
IUPAC Name2,6-dichloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
SMILESN#Cc1ccc(CNC(=O)c2c(Cl)cccc2Cl)c(F)c1
InChIInChI=1S/C15H9Cl2FN2O/c16-11-2-1-3-12(17)14(11)15(21)20-8-10-5-4-9(7-19)6-13(10)18/h1-6H,8H2,(H,20,21)
InChIKeyRTAYJUNOGXGAKV-UHFFFAOYSA-N
XLogP3.93
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
CID 63359737
3-bromo-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
CID 63359606
N-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78944983
5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]thiophene-2-carboxamide
CID 55190908
5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-2-fluorobenzamide
CID 63359561
N-[(4-cyano-2-fluorophenyl)methyl]-4-ethylbenzamide
CID 63359701
N-[(4-cyano-2-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 63359657
N-[(4-cyano-2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide
CID 63359741
2-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-5-methylbenzamide
CID 80999969
N-[(4-cyano-2-fluorophenyl)methyl]-4-(2-methylpropyl)benzamide
CID 86893384
2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide
CID 103811173
N-[(4-cyano-2-fluorophenyl)methyl]-4-methylpentanamide
CID 55191081

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide (CID 63359520) is 2,6-dichloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide is N#Cc1ccc(CNC(=O)c2c(Cl)cccc2Cl)c(F)c1.
What is the InChIKey of 2,6-dichloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide?
The InChIKey is RTAYJUNOGXGAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2O/c16-11-2-1-3-12(17)14(11)15(21)20-8-10-5-4-9(7-19)6-13(10)18/h1-6H,8H2,(H,20,21).
What are the key properties of 2,6-dichloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide?
2,6-dichloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide has a molecular weight of 323.15 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 63359520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).