N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide

C15H7ClF6N2O2 — CID 18793633

IUPACN-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(F)c(C(F)(F)F)c1Cl
InChIInChI=1S/C15H7ClF6N2O2/c16-12-9(5-4-8(19)11(12)15(20,21)22)23-14(26)24-13(25)10-6(17)2-1-3-7(10)18/h1-5H,(H2,23,24,25,26)
InChIKeyIQVQGRCDVGZLQF-UHFFFAOYSA-N
MW396.67 g/mol
LogP4.74
Rot. Bonds2

About N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide

N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 18793633) has the molecular formula C15H7ClF6N2O2 and a molecular weight of 396.67 g/mol. Its IUPAC name is N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide
PubChem CID18793633
Molecular FormulaC15H7ClF6N2O2
Molecular Weight396.67 g/mol
Exact Mass396.01
IUPAC NameN-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(F)c(C(F)(F)F)c1Cl
InChIInChI=1S/C15H7ClF6N2O2/c16-12-9(5-4-8(19)11(12)15(20,21)22)23-14(26)24-13(25)10-6(17)2-1-3-7(10)18/h1-5H,(H2,23,24,25,26)
InChIKeyIQVQGRCDVGZLQF-UHFFFAOYSA-N
XLogP4.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.67
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-[(2-fluoro-4-iodophenyl)carbamoyl]benzamide
CID 15592636
2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 23276641
2,6-difluoro-N-[[2-fluoro-4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide
CID 23034853
2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide
CID 4052856
2,6-difluoro-N-[[2-fluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfanyl)phenyl]carbamoyl]benzamide
CID 23034891
2,6-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzamide
CID 134122808
2,6-difluoro-N-[[2-fluoro-4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]carbamoyl]benzamide
CID 23034816
N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoylcarbamoyl]-2,6-difluorobenzamide
CID 19873185
N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluorophenyl]carbamoyl]-2,6-difluorobenzamide
CID 88657797
N-[[4-(4-bromo-2,3-dimethylphenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626021
2-chloro-N-[[4-(difluoromethyl)-2-fluorophenyl]carbamoyl]-6-fluorobenzamide
CID 69401733
N-[[2,5-dichloro-4-(1,1,2,2,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 22261259

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide (CID 18793633) is N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide is O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(F)c(C(F)(F)F)c1Cl.
What is the InChIKey of N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is IQVQGRCDVGZLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF6N2O2/c16-12-9(5-4-8(19)11(12)15(20,21)22)23-14(26)24-13(25)10-6(17)2-1-3-7(10)18/h1-5H,(H2,23,24,25,26).
What are the key properties of N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide?
N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 396.67 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 18793633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).