3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride

C15H9ClF3NO2 — CID 23150017

IUPAC3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride
SMILESO=C(Cl)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H9ClF3NO2/c16-13(21)10-2-1-3-12(8-10)20-14(22)9-4-6-11(7-5-9)15(17,18)19/h1-8H,(H,20,22)
InChIKeyBGSWECBINVBXHW-UHFFFAOYSA-N
MW327.69 g/mol
LogP4.34
Rot. Bonds3

About 3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride

3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride (PubChem CID 23150017) has the molecular formula C15H9ClF3NO2 and a molecular weight of 327.69 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride
PubChem CID23150017
Molecular FormulaC15H9ClF3NO2
Molecular Weight327.69 g/mol
Exact Mass327.03
IUPAC Name3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride
SMILESO=C(Cl)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H9ClF3NO2/c16-13(21)10-2-1-3-12(8-10)20-14(22)9-4-6-11(7-5-9)15(17,18)19/h1-8H,(H,20,22)
InChIKeyBGSWECBINVBXHW-UHFFFAOYSA-N
XLogP4.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.69
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide
CID 7770720
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126224742
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
N-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide
CID 8003067
4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107020049
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140
4-methylsulfinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 51191508

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride?
The IUPAC name of 3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride (CID 23150017) is 3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride.
What is the SMILES notation for 3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride?
The canonical SMILES for 3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride is O=C(Cl)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride?
The InChIKey is BGSWECBINVBXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3NO2/c16-13(21)10-2-1-3-12(8-10)20-14(22)9-4-6-11(7-5-9)15(17,18)19/h1-8H,(H,20,22).
What are the key properties of 3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride?
3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride has a molecular weight of 327.69 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride is sourced from PubChem (CID 23150017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).