N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide

C16H12F3NO2 — CID 7770720

IUPACN-(3-acetylphenyl)-4-(trifluoromethyl)benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H12F3NO2/c1-10(21)12-3-2-4-14(9-12)20-15(22)11-5-7-13(8-6-11)16(17,18)19/h2-9H,1H3,(H,20,22)
InChIKeyPIFRYDUIYNJMDN-UHFFFAOYSA-N
MW307.27 g/mol
LogP4.16
Rot. Bonds3

About N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide

N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide (PubChem CID 7770720) has the molecular formula C16H12F3NO2 and a molecular weight of 307.27 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-(trifluoromethyl)benzamide
PubChem CID7770720
Molecular FormulaC16H12F3NO2
Molecular Weight307.27 g/mol
Exact Mass307.08
IUPAC NameN-(3-acetylphenyl)-4-(trifluoromethyl)benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H12F3NO2/c1-10(21)12-3-2-4-14(9-12)20-15(22)11-5-7-13(8-6-11)16(17,18)19/h2-9H,1H3,(H,20,22)
InChIKeyPIFRYDUIYNJMDN-UHFFFAOYSA-N
XLogP4.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride
CID 23150017
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
N-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide
CID 8003067
4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107020049
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
(E)-N-(3-acetylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2679050
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
1-(3-acetylphenyl)-3-[3,5-bis(trifluoromethyl)phenyl]thiourea
CID 19649247
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 887218

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide (CID 7770720) is N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide is CC(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide?
The InChIKey is PIFRYDUIYNJMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO2/c1-10(21)12-3-2-4-14(9-12)20-15(22)11-5-7-13(8-6-11)16(17,18)19/h2-9H,1H3,(H,20,22).
What are the key properties of N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide?
N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide has a molecular weight of 307.27 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 7770720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).