N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide

C16H13ClF3NO3 — CID 1040864

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC
InChIInChI=1S/C16H13ClF3NO3/c1-23-13-6-3-9(7-14(13)24-2)15(22)21-12-8-10(16(18,19)20)4-5-11(12)17/h3-8H,1-2H3,(H,21,22)
InChIKeyFZPGFIWUOANXJP-UHFFFAOYSA-N
MW359.73 g/mol
LogP4.63
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide (PubChem CID 1040864) has the molecular formula C16H13ClF3NO3 and a molecular weight of 359.73 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
PubChem CID1040864
Molecular FormulaC16H13ClF3NO3
Molecular Weight359.73 g/mol
Exact Mass359.05
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC
InChIInChI=1S/C16H13ClF3NO3/c1-23-13-6-3-9(7-14(13)24-2)15(22)21-12-8-10(16(18,19)20)4-5-11(12)17/h3-8H,1-2H3,(H,21,22)
InChIKeyFZPGFIWUOANXJP-UHFFFAOYSA-N
XLogP4.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.73
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide (CID 1040864) is N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide?
The InChIKey is FZPGFIWUOANXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO3/c1-23-13-6-3-9(7-14(13)24-2)15(22)21-12-8-10(16(18,19)20)4-5-11(12)17/h3-8H,1-2H3,(H,21,22).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide has a molecular weight of 359.73 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 1040864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).