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

C14H9ClF3NO2 — CID 38257874

IUPAC2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1ccccc1Cl
InChIInChI=1S/C14H9ClF3NO2/c15-12-7-2-1-6-11(12)13(20)19-9-4-3-5-10(8-9)21-14(16,17)18/h1-8H,(H,19,20)
InChIKeyWZVKEPDPMAYPQG-UHFFFAOYSA-N
MW315.68 g/mol
LogP4.49
Rot. Bonds3

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

2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide (PubChem CID 38257874) has the molecular formula C14H9ClF3NO2 and a molecular weight of 315.68 g/mol. Its IUPAC name is 2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
PubChem CID38257874
Molecular FormulaC14H9ClF3NO2
Molecular Weight315.68 g/mol
Exact Mass315.03
IUPAC Name2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1ccccc1Cl
InChIInChI=1S/C14H9ClF3NO2/c15-12-7-2-1-6-11(12)13(20)19-9-4-3-5-10(8-9)21-14(16,17)18/h1-8H,(H,19,20)
InChIKeyWZVKEPDPMAYPQG-UHFFFAOYSA-N
XLogP4.49
TPSA38.33 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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-hydroxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 155535033
3-(2-chlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 46920090
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38032669
2-chloro-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 17169773
2-hydroxy-4-methoxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38204734
2,3-dihydroxy-5-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 59014806
5-bromo-2-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38034888
N-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
CID 38032613
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 34440758
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
6-amino-N-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62239085

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide (CID 38257874) is 2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide is O=C(Nc1cccc(OC(F)(F)F)c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is WZVKEPDPMAYPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO2/c15-12-7-2-1-6-11(12)13(20)19-9-4-3-5-10(8-9)21-14(16,17)18/h1-8H,(H,19,20).
What are the key properties of 2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide?
2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 315.68 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 38257874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).