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

C17H15ClF3NO4 — CID 134027238

IUPACN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)c1OC
InChIInChI=1S/C17H15ClF3NO4/c1-24-14-5-3-4-11(15(14)25-2)16(23)22-12-8-10(18)6-7-13(12)26-9-17(19,20)21/h3-8H,9H2,1-2H3,(H,22,23)
InChIKeyHMPBGWZQHPXDTJ-UHFFFAOYSA-N
MW389.76 g/mol
LogP4.55
Rot. Bonds6

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

N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dimethoxybenzamide (PubChem CID 134027238) has the molecular formula C17H15ClF3NO4 and a molecular weight of 389.76 g/mol. Its IUPAC name is N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dimethoxybenzamide
PubChem CID134027238
Molecular FormulaC17H15ClF3NO4
Molecular Weight389.76 g/mol
Exact Mass389.06
IUPAC NameN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)c1OC
InChIInChI=1S/C17H15ClF3NO4/c1-24-14-5-3-4-11(15(14)25-2)16(23)22-12-8-10(18)6-7-13(12)26-9-17(19,20)21/h3-8H,9H2,1-2H3,(H,22,23)
InChIKeyHMPBGWZQHPXDTJ-UHFFFAOYSA-N
XLogP4.55
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.76
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(difluoromethoxy)benzamide
CID 30473926
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide
CID 134027237
2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyphenyl)acetamide
CID 33482506
2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55474623
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide
CID 30473788
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide
CID 55520956
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 134027266
N-(5-chloro-2-methylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 51145397
N-(5-chloro-2-fluorophenyl)-2-methoxybenzamide
CID 8759235
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide
CID 37175499
5-chloro-N-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 154968259
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 37176133

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dimethoxybenzamide (CID 134027238) is N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)c1OC.
What is the InChIKey of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dimethoxybenzamide?
The InChIKey is HMPBGWZQHPXDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO4/c1-24-14-5-3-4-11(15(14)25-2)16(23)22-12-8-10(18)6-7-13(12)26-9-17(19,20)21/h3-8H,9H2,1-2H3,(H,22,23).
What are the key properties of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dimethoxybenzamide?
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dimethoxybenzamide has a molecular weight of 389.76 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 134027238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).