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

C15H8Cl2F3NO2 — CID 150007971

IUPAC2-chloro-3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride
SMILESO=C(Nc1cccc(C(=O)Cl)c1Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H8Cl2F3NO2/c16-12-10(13(17)22)2-1-3-11(12)21-14(23)8-4-6-9(7-5-8)15(18,19)20/h1-7H,(H,21,23)
InChIKeyDCRPLLPNKKHTSW-UHFFFAOYSA-N
MW362.13 g/mol
LogP4.99
Rot. Bonds3

About 2-chloro-3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride

2-chloro-3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride (PubChem CID 150007971) has the molecular formula C15H8Cl2F3NO2 and a molecular weight of 362.13 g/mol. Its IUPAC name is 2-chloro-3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride.

Molecular Properties

Compound Name2-chloro-3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride
PubChem CID150007971
Molecular FormulaC15H8Cl2F3NO2
Molecular Weight362.13 g/mol
Exact Mass360.99
IUPAC Name2-chloro-3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride
SMILESO=C(Nc1cccc(C(=O)Cl)c1Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H8Cl2F3NO2/c16-12-10(13(17)22)2-1-3-11(12)21-14(23)8-4-6-9(7-5-8)15(18,19)20/h1-7H,(H,21,23)
InChIKeyDCRPLLPNKKHTSW-UHFFFAOYSA-N
XLogP4.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.13
LogP ≤ 54.99
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-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 2102456
N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide
CID 108933525
3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride
CID 23150017
2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90011775
3-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]benzamide
CID 1207911
N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide
CID 9115538
2-chloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide
CID 35932014
N-[3-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide
CID 87595402
N-[2-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 177411899
N-[2-chloro-6-(trifluoromethyl)phenyl]-4-iodobenzamide
CID 60712444
N-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide
CID 81261644
methyl 4-chloro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate
CID 2440555

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride?
The IUPAC name of 2-chloro-3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride (CID 150007971) is 2-chloro-3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride.
What is the SMILES notation for 2-chloro-3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride?
The canonical SMILES for 2-chloro-3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride is O=C(Nc1cccc(C(=O)Cl)c1Cl)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-chloro-3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride?
The InChIKey is DCRPLLPNKKHTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2F3NO2/c16-12-10(13(17)22)2-1-3-11(12)21-14(23)8-4-6-9(7-5-8)15(18,19)20/h1-7H,(H,21,23).
What are the key properties of 2-chloro-3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride?
2-chloro-3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride has a molecular weight of 362.13 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride is sourced from PubChem (CID 150007971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).