3-acetyl-4-chloro-N-[4-(trifluoromethyl)phenyl]benzamide

C16H11ClF3NO2 — CID 147118620

IUPAC3-acetyl-4-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(=O)c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1Cl
InChIInChI=1S/C16H11ClF3NO2/c1-9(22)13-8-10(2-7-14(13)17)15(23)21-12-5-3-11(4-6-12)16(18,19)20/h2-8H,1H3,(H,21,23)
InChIKeyBNXLJKKOFNBFSY-UHFFFAOYSA-N
MW341.72 g/mol
LogP4.81
Rot. Bonds3

About 3-acetyl-4-chloro-N-[4-(trifluoromethyl)phenyl]benzamide

3-acetyl-4-chloro-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 147118620) has the molecular formula C16H11ClF3NO2 and a molecular weight of 341.72 g/mol. Its IUPAC name is 3-acetyl-4-chloro-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-acetyl-4-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID147118620
Molecular FormulaC16H11ClF3NO2
Molecular Weight341.72 g/mol
Exact Mass341.04
IUPAC Name3-acetyl-4-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(=O)c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1Cl
InChIInChI=1S/C16H11ClF3NO2/c1-9(22)13-8-10(2-7-14(13)17)15(23)21-12-5-3-11(4-6-12)16(18,19)20/h2-8H,1H3,(H,21,23)
InChIKeyBNXLJKKOFNBFSY-UHFFFAOYSA-N
XLogP4.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.72
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 956247
4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 81295641
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide
CID 2083480
N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide
CID 7770720
2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029
3,5-dichloro-4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 1297495
4,5-dichloro-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 134151897
N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
CID 4842174
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide
CID 1214413
4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26412442

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-chloro-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-acetyl-4-chloro-N-[4-(trifluoromethyl)phenyl]benzamide (CID 147118620) is 3-acetyl-4-chloro-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-acetyl-4-chloro-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-acetyl-4-chloro-N-[4-(trifluoromethyl)phenyl]benzamide is CC(=O)c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1Cl.
What is the InChIKey of 3-acetyl-4-chloro-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is BNXLJKKOFNBFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3NO2/c1-9(22)13-8-10(2-7-14(13)17)15(23)21-12-5-3-11(4-6-12)16(18,19)20/h2-8H,1H3,(H,21,23).
What are the key properties of 3-acetyl-4-chloro-N-[4-(trifluoromethyl)phenyl]benzamide?
3-acetyl-4-chloro-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 341.72 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-chloro-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 147118620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).