N-(3-cyano-5-fluorophenyl)-4-[(3-fluoro-4-methylphenyl)methoxy]benzamide

C22H16F2N2O2 — CID 178151488

IUPACN-(3-cyano-5-fluorophenyl)-4-[(3-fluoro-4-methylphenyl)methoxy]benzamide
SMILESCc1ccc(COc2ccc(C(=O)Nc3cc(F)cc(C#N)c3)cc2)cc1F
InChIInChI=1S/C22H16F2N2O2/c1-14-2-3-15(10-21(14)24)13-28-20-6-4-17(5-7-20)22(27)26-19-9-16(12-25)8-18(23)11-19/h2-11H,13H2,1H3,(H,26,27)
InChIKeyGVPBZPODVKNCCC-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.98
Rot. Bonds5

About N-(3-cyano-5-fluorophenyl)-4-[(3-fluoro-4-methylphenyl)methoxy]benzamide

N-(3-cyano-5-fluorophenyl)-4-[(3-fluoro-4-methylphenyl)methoxy]benzamide (PubChem CID 178151488) has the molecular formula C22H16F2N2O2 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-(3-cyano-5-fluorophenyl)-4-[(3-fluoro-4-methylphenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-(3-cyano-5-fluorophenyl)-4-[(3-fluoro-4-methylphenyl)methoxy]benzamide
PubChem CID178151488
Molecular FormulaC22H16F2N2O2
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC NameN-(3-cyano-5-fluorophenyl)-4-[(3-fluoro-4-methylphenyl)methoxy]benzamide
SMILESCc1ccc(COc2ccc(C(=O)Nc3cc(F)cc(C#N)c3)cc2)cc1F
InChIInChI=1S/C22H16F2N2O2/c1-14-2-3-15(10-21(14)24)13-28-20-6-4-17(5-7-20)22(27)26-19-9-16(12-25)8-18(23)11-19/h2-11H,13H2,1H3,(H,26,27)
InChIKeyGVPBZPODVKNCCC-UHFFFAOYSA-N
XLogP4.98
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-(3-fluoro-4-methylphenyl)benzamide
CID 2969739
N-(4-cyanophenyl)-3-fluoro-4-methylbenzamide
CID 24694502
1-N,3-N-bis(3-cyano-5-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157181
1-[3-[(4-cyanophenoxy)methyl]phenyl]-3-(3,5-difluorophenyl)urea
CID 155673807
4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982
4-[[4-(4-cyanophenyl)phenoxy]methyl]-N-phenylbenzamide
CID 7670252
4-[(4-tert-butylphenoxy)methyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 7961623
N-(3-fluoro-4-methylphenyl)-4-propan-2-yloxybenzamide
CID 7778576
methyl 4-[(3-cyano-4-fluorophenyl)methoxy]benzoate
CID 103758781
3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide
CID 46594970
N-(3-cyanophenyl)-4-ethoxybenzamide
CID 2707612
N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide
CID 47475953

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-fluorophenyl)-4-[(3-fluoro-4-methylphenyl)methoxy]benzamide?
The IUPAC name of N-(3-cyano-5-fluorophenyl)-4-[(3-fluoro-4-methylphenyl)methoxy]benzamide (CID 178151488) is N-(3-cyano-5-fluorophenyl)-4-[(3-fluoro-4-methylphenyl)methoxy]benzamide.
What is the SMILES notation for N-(3-cyano-5-fluorophenyl)-4-[(3-fluoro-4-methylphenyl)methoxy]benzamide?
The canonical SMILES for N-(3-cyano-5-fluorophenyl)-4-[(3-fluoro-4-methylphenyl)methoxy]benzamide is Cc1ccc(COc2ccc(C(=O)Nc3cc(F)cc(C#N)c3)cc2)cc1F.
What is the InChIKey of N-(3-cyano-5-fluorophenyl)-4-[(3-fluoro-4-methylphenyl)methoxy]benzamide?
The InChIKey is GVPBZPODVKNCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O2/c1-14-2-3-15(10-21(14)24)13-28-20-6-4-17(5-7-20)22(27)26-19-9-16(12-25)8-18(23)11-19/h2-11H,13H2,1H3,(H,26,27).
What are the key properties of N-(3-cyano-5-fluorophenyl)-4-[(3-fluoro-4-methylphenyl)methoxy]benzamide?
N-(3-cyano-5-fluorophenyl)-4-[(3-fluoro-4-methylphenyl)methoxy]benzamide has a molecular weight of 378.38 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-fluorophenyl)-4-[(3-fluoro-4-methylphenyl)methoxy]benzamide is sourced from PubChem (CID 178151488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).