N-(3-chloro-4-cyanophenyl)-5-fluoro-2-methoxybenzamide

C15H10ClFN2O2 — CID 31115517

IUPACN-(3-chloro-4-cyanophenyl)-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C15H10ClFN2O2/c1-21-14-5-3-10(17)6-12(14)15(20)19-11-4-2-9(8-18)13(16)7-11/h2-7H,1H3,(H,19,20)
InChIKeyUNSFGPLUKNVCEI-UHFFFAOYSA-N
MW304.71 g/mol
LogP3.61
Rot. Bonds3

About N-(3-chloro-4-cyanophenyl)-5-fluoro-2-methoxybenzamide

N-(3-chloro-4-cyanophenyl)-5-fluoro-2-methoxybenzamide (PubChem CID 31115517) has the molecular formula C15H10ClFN2O2 and a molecular weight of 304.71 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-5-fluoro-2-methoxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-5-fluoro-2-methoxybenzamide
PubChem CID31115517
Molecular FormulaC15H10ClFN2O2
Molecular Weight304.71 g/mol
Exact Mass304.04
IUPAC NameN-(3-chloro-4-cyanophenyl)-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C15H10ClFN2O2/c1-21-14-5-3-10(17)6-12(14)15(20)19-11-4-2-9(8-18)13(16)7-11/h2-7H,1H3,(H,19,20)
InChIKeyUNSFGPLUKNVCEI-UHFFFAOYSA-N
XLogP3.61
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
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3-amino-N-(3-chloro-4-cyanophenyl)-5-methoxybenzamide
CID 81093136
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
5-amino-N-(2-cyano-4-fluorophenyl)-2-methoxybenzamide
CID 82013560
N-(3-ethynylphenyl)-5-fluoro-2-methoxybenzamide
CID 33229993
N-(3-chloro-4-cyanophenyl)-2,5-dimethylfuran-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-5-fluoro-2-methoxybenzamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-5-fluoro-2-methoxybenzamide (CID 31115517) is N-(3-chloro-4-cyanophenyl)-5-fluoro-2-methoxybenzamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-5-fluoro-2-methoxybenzamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-5-fluoro-2-methoxybenzamide is COc1ccc(F)cc1C(=O)Nc1ccc(C#N)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-5-fluoro-2-methoxybenzamide?
The InChIKey is UNSFGPLUKNVCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2/c1-21-14-5-3-10(17)6-12(14)15(20)19-11-4-2-9(8-18)13(16)7-11/h2-7H,1H3,(H,19,20).
What are the key properties of N-(3-chloro-4-cyanophenyl)-5-fluoro-2-methoxybenzamide?
N-(3-chloro-4-cyanophenyl)-5-fluoro-2-methoxybenzamide has a molecular weight of 304.71 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-5-fluoro-2-methoxybenzamide is sourced from PubChem (CID 31115517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).