2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide

C15H8F6N2O2 — CID 23276641

IUPAC2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H8F6N2O2/c16-9-5-4-7(6-8(9)15(19,20)21)22-14(25)23-13(24)12-10(17)2-1-3-11(12)18/h1-6H,(H2,22,23,24,25)
InChIKeyIXCYYMIMFSTQSW-UHFFFAOYSA-N
MW362.23 g/mol
LogP4.08
Rot. Bonds2

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

2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide (PubChem CID 23276641) has the molecular formula C15H8F6N2O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is 2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide
PubChem CID23276641
Molecular FormulaC15H8F6N2O2
Molecular Weight362.23 g/mol
Exact Mass362.05
IUPAC Name2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H8F6N2O2/c16-9-5-4-7(6-8(9)15(19,20)21)22-14(25)23-13(24)12-10(17)2-1-3-11(12)18/h1-6H,(H2,22,23,24,25)
InChIKeyIXCYYMIMFSTQSW-UHFFFAOYSA-N
XLogP4.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzamide
CID 134122808
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylurea
CID 47456942
2-chloro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]acetamide
CID 61227663
benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid
CID 174945939
2,6-difluoro-N-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 121264507
2,6-difluoro-N-[[4-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methoxyphenyl]carbamoyl]benzamide
CID 134101620
N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276006
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007
2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide
CID 15740316
6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 115497606
6-chloro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1,3-benzodioxole-5-carboxamide
CID 10179392
N-[[4-(difluoromethoxy)-3-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 134088408

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide (CID 23276641) is 2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide is O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide?
The InChIKey is IXCYYMIMFSTQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F6N2O2/c16-9-5-4-7(6-8(9)15(19,20)21)22-14(25)23-13(24)12-10(17)2-1-3-11(12)18/h1-6H,(H2,22,23,24,25).
What are the key properties of 2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide?
2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide has a molecular weight of 362.23 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide is sourced from PubChem (CID 23276641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).