N-(4-cyanophenyl)-4-fluoro-3-methoxybenzamide

C15H11FN2O2 — CID 80968208

IUPACN-(4-cyanophenyl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C#N)cc2)ccc1F
InChIInChI=1S/C15H11FN2O2/c1-20-14-8-11(4-7-13(14)16)15(19)18-12-5-2-10(9-17)3-6-12/h2-8H,1H3,(H,18,19)
InChIKeyLPXHQJUJCACKMS-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.96
Rot. Bonds3

About N-(4-cyanophenyl)-4-fluoro-3-methoxybenzamide

N-(4-cyanophenyl)-4-fluoro-3-methoxybenzamide (PubChem CID 80968208) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-fluoro-3-methoxybenzamide
PubChem CID80968208
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC NameN-(4-cyanophenyl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C#N)cc2)ccc1F
InChIInChI=1S/C15H11FN2O2/c1-20-14-8-11(4-7-13(14)16)15(19)18-12-5-2-10(9-17)3-6-12/h2-8H,1H3,(H,18,19)
InChIKeyLPXHQJUJCACKMS-UHFFFAOYSA-N
XLogP2.96
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-3-hydroxy-4-methoxybenzamide
CID 79726945
N-(2-amino-4-cyanophenyl)-4-fluoro-3-methoxybenzamide
CID 81287674
4-fluoro-N-(4-iodophenyl)-3-methoxybenzamide
CID 80948431
N-(4-cyanophenyl)-3,5-dimethoxy-4-methylbenzamide
CID 8009162
N-[(4-cyanophenyl)methyl]-4-fluoro-3-methoxybenzamide
CID 80973356
N-(4-cyanophenyl)-3-fluoro-4-methylbenzamide
CID 24694502
N-[4-(chloromethyl)phenyl]-4-fluoro-3-methoxybenzamide
CID 114299823
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
N-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide
CID 104848992
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzamide
CID 114840048
1-N,3-N-bis(5-cyano-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157170

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-(4-cyanophenyl)-4-fluoro-3-methoxybenzamide (CID 80968208) is N-(4-cyanophenyl)-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-(4-cyanophenyl)-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)Nc2ccc(C#N)cc2)ccc1F.
What is the InChIKey of N-(4-cyanophenyl)-4-fluoro-3-methoxybenzamide?
The InChIKey is LPXHQJUJCACKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c1-20-14-8-11(4-7-13(14)16)15(19)18-12-5-2-10(9-17)3-6-12/h2-8H,1H3,(H,18,19).
What are the key properties of N-(4-cyanophenyl)-4-fluoro-3-methoxybenzamide?
N-(4-cyanophenyl)-4-fluoro-3-methoxybenzamide has a molecular weight of 270.26 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 80968208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).