2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]benzoyl chloride

C13H10Cl2F3NO2 — CID 118466515

IUPAC2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]benzoyl chloride
SMILESO=C(Cl)c1cc(CNC(=O)C2(C(F)(F)F)CC2)ccc1Cl
InChIInChI=1S/C13H10Cl2F3NO2/c14-9-2-1-7(5-8(9)10(15)20)6-19-11(21)12(3-4-12)13(16,17)18/h1-2,5H,3-4,6H2,(H,19,21)
InChIKeyYPZLKVNZTRTYNF-UHFFFAOYSA-N
MW340.13 g/mol
LogP3.68
Rot. Bonds4

About 2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]benzoyl chloride

2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]benzoyl chloride (PubChem CID 118466515) has the molecular formula C13H10Cl2F3NO2 and a molecular weight of 340.13 g/mol. Its IUPAC name is 2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]benzoyl chloride.

Molecular Properties

Compound Name2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]benzoyl chloride
PubChem CID118466515
Molecular FormulaC13H10Cl2F3NO2
Molecular Weight340.13 g/mol
Exact Mass339.00
IUPAC Name2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]benzoyl chloride
SMILESO=C(Cl)c1cc(CNC(=O)C2(C(F)(F)F)CC2)ccc1Cl
InChIInChI=1S/C13H10Cl2F3NO2/c14-9-2-1-7(5-8(9)10(15)20)6-19-11(21)12(3-4-12)13(16,17)18/h1-2,5H,3-4,6H2,(H,19,21)
InChIKeyYPZLKVNZTRTYNF-UHFFFAOYSA-N
XLogP3.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.13
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]benzoyl chloride?
The IUPAC name of 2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]benzoyl chloride (CID 118466515) is 2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]benzoyl chloride.
What is the SMILES notation for 2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]benzoyl chloride?
The canonical SMILES for 2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]benzoyl chloride is O=C(Cl)c1cc(CNC(=O)C2(C(F)(F)F)CC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]benzoyl chloride?
The InChIKey is YPZLKVNZTRTYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F3NO2/c14-9-2-1-7(5-8(9)10(15)20)6-19-11(21)12(3-4-12)13(16,17)18/h1-2,5H,3-4,6H2,(H,19,21).
What are the key properties of 2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]benzoyl chloride?
2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]benzoyl chloride has a molecular weight of 340.13 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]benzoyl chloride is sourced from PubChem (CID 118466515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).