N-(3-cyano-4-fluoro-2-formylphenyl)-3-fluoro-5-(trifluoromethyl)benzamide

C16H7F5N2O2 — CID 170435306

IUPACN-(3-cyano-4-fluoro-2-formylphenyl)-3-fluoro-5-(trifluoromethyl)benzamide
SMILESN#Cc1c(F)ccc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c1C=O
InChIInChI=1S/C16H7F5N2O2/c17-10-4-8(3-9(5-10)16(19,20)21)15(25)23-14-2-1-13(18)11(6-22)12(14)7-24/h1-5,7H,(H,23,25)
InChIKeyZCLZPTBLABNQQS-UHFFFAOYSA-N
MW354.23 g/mol
LogP3.92
Rot. Bonds3

About N-(3-cyano-4-fluoro-2-formylphenyl)-3-fluoro-5-(trifluoromethyl)benzamide

N-(3-cyano-4-fluoro-2-formylphenyl)-3-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 170435306) has the molecular formula C16H7F5N2O2 and a molecular weight of 354.23 g/mol. Its IUPAC name is N-(3-cyano-4-fluoro-2-formylphenyl)-3-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluoro-2-formylphenyl)-3-fluoro-5-(trifluoromethyl)benzamide
PubChem CID170435306
Molecular FormulaC16H7F5N2O2
Molecular Weight354.23 g/mol
Exact Mass354.04
IUPAC NameN-(3-cyano-4-fluoro-2-formylphenyl)-3-fluoro-5-(trifluoromethyl)benzamide
SMILESN#Cc1c(F)ccc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c1C=O
InChIInChI=1S/C16H7F5N2O2/c17-10-4-8(3-9(5-10)16(19,20)21)15(25)23-14-2-1-13(18)11(6-22)12(14)7-24/h1-5,7H,(H,23,25)
InChIKeyZCLZPTBLABNQQS-UHFFFAOYSA-N
XLogP3.92
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-fluorophenyl)-3-fluoro-5-(trifluoromethyl)benzamide
CID 137353811
N-(2-cyano-3-fluorophenyl)-3-fluoro-5-methylbenzamide
CID 115659818
3-fluoro-N-(4-fluoro-3-nitrophenyl)-5-(trifluoromethyl)benzamide
CID 67040567
N-[3-[(2-chloro-5-fluorophenyl)-(methylamino)methyl]-6-fluoro-4-formylnaphthalen-2-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 170750576
N-(5-chloro-2-hydroxyphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 71508594
N-[3-(carbamoylamino)phenyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 166822202
[3-[[3-cyano-5-(trifluoromethyl)benzoyl]amino]-4-fluoroanilino] 2,2-dimethylpropanoate
CID 175606062
N-[3-(2-chloro-5-fluorophenyl)-6-cyano-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 176620070
N-[(3S)-3-(2-chloro-5-fluorophenyl)-6-cyano-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 166822093
N-(3-ethynyl-4-methylphenyl)-3-fluoro-5-(trifluoromethyl)benzamide
CID 122419174
3-bromo-N-(5-chloro-2-cyanophenyl)-5-fluorobenzamide
CID 64919189
N-(5-benzamido-6-chloro-3-pyridinyl)-3-fluoro-5-(trifluoromethyl)benzamide
CID 174537026

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluoro-2-formylphenyl)-3-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-cyano-4-fluoro-2-formylphenyl)-3-fluoro-5-(trifluoromethyl)benzamide (CID 170435306) is N-(3-cyano-4-fluoro-2-formylphenyl)-3-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-cyano-4-fluoro-2-formylphenyl)-3-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-cyano-4-fluoro-2-formylphenyl)-3-fluoro-5-(trifluoromethyl)benzamide is N#Cc1c(F)ccc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c1C=O.
What is the InChIKey of N-(3-cyano-4-fluoro-2-formylphenyl)-3-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is ZCLZPTBLABNQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7F5N2O2/c17-10-4-8(3-9(5-10)16(19,20)21)15(25)23-14-2-1-13(18)11(6-22)12(14)7-24/h1-5,7H,(H,23,25).
What are the key properties of N-(3-cyano-4-fluoro-2-formylphenyl)-3-fluoro-5-(trifluoromethyl)benzamide?
N-(3-cyano-4-fluoro-2-formylphenyl)-3-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 354.23 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluoro-2-formylphenyl)-3-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 170435306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).