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

C22H13F7N2O3 — CID 134088408

IUPACN-[[4-(difluoromethoxy)-3-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(OC(F)F)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H13F7N2O3/c23-15-5-2-6-16(24)18(15)19(32)31-21(33)30-13-7-8-17(34-20(25)26)14(10-13)11-3-1-4-12(9-11)22(27,28)29/h1-10,20H,(H2,30,31,32,33)
InChIKeyGXWGIYCVKCGXDU-UHFFFAOYSA-N
MW486.34 g/mol
LogP6.21
Rot. Bonds5

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

N-[[4-(difluoromethoxy)-3-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 134088408) has the molecular formula C22H13F7N2O3 and a molecular weight of 486.34 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]-2,6-difluorobenzamide
PubChem CID134088408
Molecular FormulaC22H13F7N2O3
Molecular Weight486.34 g/mol
Exact Mass486.08
IUPAC NameN-[[4-(difluoromethoxy)-3-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(OC(F)F)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H13F7N2O3/c23-15-5-2-6-16(24)18(15)19(32)31-21(33)30-13-7-8-17(34-20(25)26)14(10-13)11-3-1-4-12(9-11)22(27,28)29/h1-10,20H,(H2,30,31,32,33)
InChIKeyGXWGIYCVKCGXDU-UHFFFAOYSA-N
XLogP6.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.34
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzamide
CID 134122808
2,6-difluoro-N-[(3-phenyl-4-phenylmethoxyphenyl)carbamoyl]benzamide
CID 134113957
N-[[4-(difluoromethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 134110234
2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 23276641
2,6-difluoro-N-[[4-[1-[3-(trifluoromethyl)phenyl]ethylsulfanyl]phenyl]carbamoyl]benzamide
CID 20524383
1-(difluoromethoxy)-3-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 134630432
N-[[4-(4-tert-butylphenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 134087466
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2,6-difluorobenzamide
CID 17021884
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
2,6-difluoro-N-[[3-methoxy-4-(4-methoxyphenyl)phenyl]carbamoyl]benzamide
CID 15452397
N-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 134117338

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]-2,6-difluorobenzamide (CID 134088408) is N-[[4-(difluoromethoxy)-3-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]-2,6-difluorobenzamide is O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(OC(F)F)c(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is GXWGIYCVKCGXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F7N2O3/c23-15-5-2-6-16(24)18(15)19(32)31-21(33)30-13-7-8-17(34-20(25)26)14(10-13)11-3-1-4-12(9-11)22(27,28)29/h1-10,20H,(H2,30,31,32,33).
What are the key properties of N-[[4-(difluoromethoxy)-3-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]-2,6-difluorobenzamide?
N-[[4-(difluoromethoxy)-3-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 486.34 g/mol, XLogP of 6.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 134088408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).