2-chloro-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide

C16H12ClF3N2O2 — CID 39997581

IUPAC2-chloro-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide
SMILESNC(=O)c1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C16H12ClF3N2O2/c17-13-5-4-11(8-12(13)15(21)24)22-14(23)7-9-2-1-3-10(6-9)16(18,19)20/h1-6,8H,7H2,(H2,21,24)(H,22,23)
InChIKeyVRDSMDMHIXHQQE-UHFFFAOYSA-N
MW356.73 g/mol
LogP3.64
Rot. Bonds4

About 2-chloro-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide

2-chloro-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide (PubChem CID 39997581) has the molecular formula C16H12ClF3N2O2 and a molecular weight of 356.73 g/mol. Its IUPAC name is 2-chloro-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide
PubChem CID39997581
Molecular FormulaC16H12ClF3N2O2
Molecular Weight356.73 g/mol
Exact Mass356.05
IUPAC Name2-chloro-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide
SMILESNC(=O)c1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C16H12ClF3N2O2/c17-13-5-4-11(8-12(13)15(21)24)22-14(23)7-9-2-1-3-10(6-9)16(18,19)20/h1-6,8H,7H2,(H2,21,24)(H,22,23)
InChIKeyVRDSMDMHIXHQQE-UHFFFAOYSA-N
XLogP3.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.73
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 7934876
N-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 4848940
N-(4-anilinophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 161345978
N-methyl-2-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetamide
CID 38402676
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 7767405
2-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2666418
[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 29142847
N-(3-chloro-4-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 39959255
[2-(2-carbamoylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 7767549
N-methyl-4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 8700304
N-(4-phenyldiazenylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 7927071
[2-(4-fluoroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 7767521

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide?
The IUPAC name of 2-chloro-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide (CID 39997581) is 2-chloro-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide.
What is the SMILES notation for 2-chloro-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide?
The canonical SMILES for 2-chloro-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide is NC(=O)c1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide?
The InChIKey is VRDSMDMHIXHQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O2/c17-13-5-4-11(8-12(13)15(21)24)22-14(23)7-9-2-1-3-10(6-9)16(18,19)20/h1-6,8H,7H2,(H2,21,24)(H,22,23).
What are the key properties of 2-chloro-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide?
2-chloro-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide has a molecular weight of 356.73 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide is sourced from PubChem (CID 39997581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).