N-[2-chloro-4-(trifluoromethoxy)phenyl]-5-cyano-2-methoxybenzamide

C16H10ClF3N2O3 — CID 23141520

IUPACN-[2-chloro-4-(trifluoromethoxy)phenyl]-5-cyano-2-methoxybenzamide
SMILESCOc1ccc(C#N)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1Cl
InChIInChI=1S/C16H10ClF3N2O3/c1-24-14-5-2-9(8-21)6-11(14)15(23)22-13-4-3-10(7-12(13)17)25-16(18,19)20/h2-7H,1H3,(H,22,23)
InChIKeyIWHGDKTYTULJPX-UHFFFAOYSA-N
MW370.71 g/mol
LogP4.37
Rot. Bonds4

About N-[2-chloro-4-(trifluoromethoxy)phenyl]-5-cyano-2-methoxybenzamide

N-[2-chloro-4-(trifluoromethoxy)phenyl]-5-cyano-2-methoxybenzamide (PubChem CID 23141520) has the molecular formula C16H10ClF3N2O3 and a molecular weight of 370.71 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethoxy)phenyl]-5-cyano-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-chloro-4-(trifluoromethoxy)phenyl]-5-cyano-2-methoxybenzamide
PubChem CID23141520
Molecular FormulaC16H10ClF3N2O3
Molecular Weight370.71 g/mol
Exact Mass370.03
IUPAC NameN-[2-chloro-4-(trifluoromethoxy)phenyl]-5-cyano-2-methoxybenzamide
SMILESCOc1ccc(C#N)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1Cl
InChIInChI=1S/C16H10ClF3N2O3/c1-24-14-5-2-9(8-21)6-11(14)15(23)22-13-4-3-10(7-12(13)17)25-16(18,19)20/h2-7H,1H3,(H,22,23)
InChIKeyIWHGDKTYTULJPX-UHFFFAOYSA-N
XLogP4.37
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.71
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide
CID 103811217
4-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide
CID 103811009
1-N,3-N-bis(5-cyano-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157170
2,5-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 8621705
5-tert-butyl-N-(2-chloro-4-cyanophenyl)-2-hydroxybenzamide
CID 86273414
3-amino-N-(2-chloro-4-cyanophenyl)-5-methoxybenzamide
CID 107806880
2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799731
5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide
CID 61093558
5-chloro-N-(2-chloro-4-hydroxyphenyl)-2-methoxybenzamide
CID 64787348
N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 103799806
N-(2-chloro-4-cyanophenyl)-2-fluoro-3-methylbenzamide
CID 103811028
N-(2-chloro-4-methylphenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 7252194

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(trifluoromethoxy)phenyl]-5-cyano-2-methoxybenzamide?
The IUPAC name of N-[2-chloro-4-(trifluoromethoxy)phenyl]-5-cyano-2-methoxybenzamide (CID 23141520) is N-[2-chloro-4-(trifluoromethoxy)phenyl]-5-cyano-2-methoxybenzamide.
What is the SMILES notation for N-[2-chloro-4-(trifluoromethoxy)phenyl]-5-cyano-2-methoxybenzamide?
The canonical SMILES for N-[2-chloro-4-(trifluoromethoxy)phenyl]-5-cyano-2-methoxybenzamide is COc1ccc(C#N)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(trifluoromethoxy)phenyl]-5-cyano-2-methoxybenzamide?
The InChIKey is IWHGDKTYTULJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O3/c1-24-14-5-2-9(8-21)6-11(14)15(23)22-13-4-3-10(7-12(13)17)25-16(18,19)20/h2-7H,1H3,(H,22,23).
What are the key properties of N-[2-chloro-4-(trifluoromethoxy)phenyl]-5-cyano-2-methoxybenzamide?
N-[2-chloro-4-(trifluoromethoxy)phenyl]-5-cyano-2-methoxybenzamide has a molecular weight of 370.71 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(trifluoromethoxy)phenyl]-5-cyano-2-methoxybenzamide is sourced from PubChem (CID 23141520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).