N-[[2,4-dibromo-5-(trifluoromethyl)phenyl]carbamoyl]-2-fluorobenzamide

C15H8Br2F4N2O2 — CID 18793629

IUPACN-[[2,4-dibromo-5-(trifluoromethyl)phenyl]carbamoyl]-2-fluorobenzamide
SMILESO=C(NC(=O)c1ccccc1F)Nc1cc(C(F)(F)F)c(Br)cc1Br
InChIInChI=1S/C15H8Br2F4N2O2/c16-9-6-10(17)12(5-8(9)15(19,20)21)22-14(25)23-13(24)7-3-1-2-4-11(7)18/h1-6H,(H2,22,23,24,25)
InChIKeyFIVCKXQZGLSCJD-UHFFFAOYSA-N
MW484.04 g/mol
LogP5.33
Rot. Bonds2

About N-[[2,4-dibromo-5-(trifluoromethyl)phenyl]carbamoyl]-2-fluorobenzamide

N-[[2,4-dibromo-5-(trifluoromethyl)phenyl]carbamoyl]-2-fluorobenzamide (PubChem CID 18793629) has the molecular formula C15H8Br2F4N2O2 and a molecular weight of 484.04 g/mol. Its IUPAC name is N-[[2,4-dibromo-5-(trifluoromethyl)phenyl]carbamoyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[2,4-dibromo-5-(trifluoromethyl)phenyl]carbamoyl]-2-fluorobenzamide
PubChem CID18793629
Molecular FormulaC15H8Br2F4N2O2
Molecular Weight484.04 g/mol
Exact Mass481.89
IUPAC NameN-[[2,4-dibromo-5-(trifluoromethyl)phenyl]carbamoyl]-2-fluorobenzamide
SMILESO=C(NC(=O)c1ccccc1F)Nc1cc(C(F)(F)F)c(Br)cc1Br
InChIInChI=1S/C15H8Br2F4N2O2/c16-9-6-10(17)12(5-8(9)15(19,20)21)22-14(25)23-13(24)7-3-1-2-4-11(7)18/h1-6H,(H2,22,23,24,25)
InChIKeyFIVCKXQZGLSCJD-UHFFFAOYSA-N
XLogP5.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.04
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[[2,3-difluoro-4-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 19905527
N-(2-bromo-5-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 103753432
5-bromo-2-fluoro-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide
CID 55765621
N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide
CID 104723165
N-(5-bromo-2,1,3-benzothiadiazol-6-yl)-2-fluorobenzamide
CID 4713731
2-bromo-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 1048167
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
N-(3-bromo-2-methylphenyl)-2-fluorobenzamide
CID 66606524
N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65436517
2-amino-N-[(2-bromophenyl)carbamoyl]benzamide
CID 108868802
2-fluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide
CID 90396008
2,4-difluoro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 8896585

Frequently Asked Questions

What is the IUPAC name of N-[[2,4-dibromo-5-(trifluoromethyl)phenyl]carbamoyl]-2-fluorobenzamide?
The IUPAC name of N-[[2,4-dibromo-5-(trifluoromethyl)phenyl]carbamoyl]-2-fluorobenzamide (CID 18793629) is N-[[2,4-dibromo-5-(trifluoromethyl)phenyl]carbamoyl]-2-fluorobenzamide.
What is the SMILES notation for N-[[2,4-dibromo-5-(trifluoromethyl)phenyl]carbamoyl]-2-fluorobenzamide?
The canonical SMILES for N-[[2,4-dibromo-5-(trifluoromethyl)phenyl]carbamoyl]-2-fluorobenzamide is O=C(NC(=O)c1ccccc1F)Nc1cc(C(F)(F)F)c(Br)cc1Br.
What is the InChIKey of N-[[2,4-dibromo-5-(trifluoromethyl)phenyl]carbamoyl]-2-fluorobenzamide?
The InChIKey is FIVCKXQZGLSCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br2F4N2O2/c16-9-6-10(17)12(5-8(9)15(19,20)21)22-14(25)23-13(24)7-3-1-2-4-11(7)18/h1-6H,(H2,22,23,24,25).
What are the key properties of N-[[2,4-dibromo-5-(trifluoromethyl)phenyl]carbamoyl]-2-fluorobenzamide?
N-[[2,4-dibromo-5-(trifluoromethyl)phenyl]carbamoyl]-2-fluorobenzamide has a molecular weight of 484.04 g/mol, XLogP of 5.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,4-dibromo-5-(trifluoromethyl)phenyl]carbamoyl]-2-fluorobenzamide is sourced from PubChem (CID 18793629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).