N-[cyano-(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)methoxy]benzamide

C22H16F2N2O2 — CID 56572178

IUPACN-[cyano-(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)methoxy]benzamide
SMILESN#CC(NC(=O)c1cccc(OCc2ccc(F)cc2)c1)c1ccccc1F
InChIInChI=1S/C22H16F2N2O2/c23-17-10-8-15(9-11-17)14-28-18-5-3-4-16(12-18)22(27)26-21(13-25)19-6-1-2-7-20(19)24/h1-12,21H,14H2,(H,26,27)
InChIKeyBLHMOYQUIMYNCY-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.54
Rot. Bonds6

About N-[cyano-(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)methoxy]benzamide

N-[cyano-(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)methoxy]benzamide (PubChem CID 56572178) has the molecular formula C22H16F2N2O2 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[cyano-(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[cyano-(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)methoxy]benzamide
PubChem CID56572178
Molecular FormulaC22H16F2N2O2
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC NameN-[cyano-(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)methoxy]benzamide
SMILESN#CC(NC(=O)c1cccc(OCc2ccc(F)cc2)c1)c1ccccc1F
InChIInChI=1S/C22H16F2N2O2/c23-17-10-8-15(9-11-17)14-28-18-5-3-4-16(12-18)22(27)26-21(13-25)19-6-1-2-7-20(19)24/h1-12,21H,14H2,(H,26,27)
InChIKeyBLHMOYQUIMYNCY-UHFFFAOYSA-N
XLogP4.54
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-fluorophenyl)methoxy]-N-(3-methylbutan-2-yl)benzamide
CID 43035024
methyl 3-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]-3-phenylpropanoate
CID 46657420
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 55901297
3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide
CID 46594970
3-[(4-fluorophenyl)methoxy]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115321
N-[(R)-cyano-(4-fluorophenyl)methyl]-3-methoxybenzamide
CID 9246130
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(dimethylcarbamoylamino)benzamide
CID 95774319
N-[cyano-(2-methylphenyl)methyl]-3-fluorobenzamide
CID 82123284
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 31857522
N-[cyano-(2-methylphenyl)methyl]-4-fluorobenzamide
CID 82123285
3-[(4-fluorophenyl)methoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
CID 39031047

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)methoxy]benzamide?
The IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)methoxy]benzamide (CID 56572178) is N-[cyano-(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)methoxy]benzamide.
What is the SMILES notation for N-[cyano-(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)methoxy]benzamide?
The canonical SMILES for N-[cyano-(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)methoxy]benzamide is N#CC(NC(=O)c1cccc(OCc2ccc(F)cc2)c1)c1ccccc1F.
What is the InChIKey of N-[cyano-(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)methoxy]benzamide?
The InChIKey is BLHMOYQUIMYNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O2/c23-17-10-8-15(9-11-17)14-28-18-5-3-4-16(12-18)22(27)26-21(13-25)19-6-1-2-7-20(19)24/h1-12,21H,14H2,(H,26,27).
What are the key properties of N-[cyano-(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)methoxy]benzamide?
N-[cyano-(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)methoxy]benzamide has a molecular weight of 378.38 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 56572178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).