3-chloro-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide

C16H12ClF3N2O3 — CID 9442489

IUPAC3-chloro-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Cl)c1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H12ClF3N2O3/c17-11-3-1-2-10(8-11)15(24)21-9-14(23)22-12-4-6-13(7-5-12)25-16(18,19)20/h1-8H,9H2,(H,21,24)(H,22,23)
InChIKeyWGAFUBGHHUTMMK-UHFFFAOYSA-N
MW372.73 g/mol
LogP3.61
Rot. Bonds5

About 3-chloro-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide

3-chloro-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide (PubChem CID 9442489) has the molecular formula C16H12ClF3N2O3 and a molecular weight of 372.73 g/mol. Its IUPAC name is 3-chloro-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
PubChem CID9442489
Molecular FormulaC16H12ClF3N2O3
Molecular Weight372.73 g/mol
Exact Mass372.05
IUPAC Name3-chloro-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Cl)c1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H12ClF3N2O3/c17-11-3-1-2-10(8-11)15(24)21-9-14(23)22-12-4-6-13(7-5-12)25-16(18,19)20/h1-8H,9H2,(H,21,24)(H,22,23)
InChIKeyWGAFUBGHHUTMMK-UHFFFAOYSA-N
XLogP3.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.73
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]benzamide
CID 38033870
N-(3-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]acetamide
CID 46571844
N-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethyl]-3-chlorobenzamide
CID 55839601
4-bromo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 35184223
3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide
CID 24537992
3-chloro-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 26058931
3-chloro-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide
CID 9314380
3-chloro-N-[2-[4-(methylsulfamoyl)anilino]-2-oxoethyl]benzamide
CID 9219617
3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 772080
2-[4-[2-(3-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29164778
3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 2113466
3-chloro-N-[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]benzamide
CID 47005544

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide (CID 9442489) is 3-chloro-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide is O=C(CNC(=O)c1cccc(Cl)c1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-chloro-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide?
The InChIKey is WGAFUBGHHUTMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O3/c17-11-3-1-2-10(8-11)15(24)21-9-14(23)22-12-4-6-13(7-5-12)25-16(18,19)20/h1-8H,9H2,(H,21,24)(H,22,23).
What are the key properties of 3-chloro-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide?
3-chloro-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide has a molecular weight of 372.73 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide is sourced from PubChem (CID 9442489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).