5-chloro-2-[3-(trifluoromethoxy)phenyl]benzamide

C14H9ClF3NO2 — CID 134627963

IUPAC5-chloro-2-[3-(trifluoromethoxy)phenyl]benzamide
SMILESNC(=O)c1cc(Cl)ccc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H9ClF3NO2/c15-9-4-5-11(12(7-9)13(19)20)8-2-1-3-10(6-8)21-14(16,17)18/h1-7H,(H2,19,20)
InChIKeyBFMZRHTWQBQUCA-UHFFFAOYSA-N
MW315.68 g/mol
LogP4.00
Rot. Bonds3

About 5-chloro-2-[3-(trifluoromethoxy)phenyl]benzamide

5-chloro-2-[3-(trifluoromethoxy)phenyl]benzamide (PubChem CID 134627963) has the molecular formula C14H9ClF3NO2 and a molecular weight of 315.68 g/mol. Its IUPAC name is 5-chloro-2-[3-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-[3-(trifluoromethoxy)phenyl]benzamide
PubChem CID134627963
Molecular FormulaC14H9ClF3NO2
Molecular Weight315.68 g/mol
Exact Mass315.03
IUPAC Name5-chloro-2-[3-(trifluoromethoxy)phenyl]benzamide
SMILESNC(=O)c1cc(Cl)ccc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H9ClF3NO2/c15-9-4-5-11(12(7-9)13(19)20)8-2-1-3-10(6-8)21-14(16,17)18/h1-7H,(H2,19,20)
InChIKeyBFMZRHTWQBQUCA-UHFFFAOYSA-N
XLogP4.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide
CID 118822797
2-chloro-5-(trifluoromethoxy)benzamide
CID 119004987
4-chloro-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]benzene
CID 118828304
2-chloro-3-[3-(trifluoromethoxy)phenyl]benzoyl chloride
CID 134619623
3-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoyl chloride
CID 134620203
3-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53211302
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
1,2,4-trichloro-5-[3-(trifluoromethoxy)phenyl]benzene
CID 118994485
2-fluoro-6-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53228236
ethyl 4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzoate
CID 134633502
5-chloro-2-(3-methoxyphenyl)benzoic acid
CID 39232676
3-chloro-5-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
CID 133091466

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 5-chloro-2-[3-(trifluoromethoxy)phenyl]benzamide (CID 134627963) is 5-chloro-2-[3-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 5-chloro-2-[3-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 5-chloro-2-[3-(trifluoromethoxy)phenyl]benzamide is NC(=O)c1cc(Cl)ccc1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 5-chloro-2-[3-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is BFMZRHTWQBQUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO2/c15-9-4-5-11(12(7-9)13(19)20)8-2-1-3-10(6-8)21-14(16,17)18/h1-7H,(H2,19,20).
What are the key properties of 5-chloro-2-[3-(trifluoromethoxy)phenyl]benzamide?
5-chloro-2-[3-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 315.68 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 134627963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).