[3,5-bis(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate

C16H7Cl2F6NO3 — CID 2798658

IUPAC[3,5-bis(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H7Cl2F6NO3/c17-10-2-1-3-11(18)12(10)13(26)25-14(27)28-9-5-7(15(19,20)21)4-8(6-9)16(22,23)24/h1-6H,(H,25,26,27)
InChIKeyJUNALCJJZMGBCW-UHFFFAOYSA-N
MW446.13 g/mol
LogP5.96
Rot. Bonds2

About [3,5-bis(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate

[3,5-bis(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate (PubChem CID 2798658) has the molecular formula C16H7Cl2F6NO3 and a molecular weight of 446.13 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate
PubChem CID2798658
Molecular FormulaC16H7Cl2F6NO3
Molecular Weight446.13 g/mol
Exact Mass444.97
IUPAC Name[3,5-bis(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H7Cl2F6NO3/c17-10-2-1-3-11(18)12(10)13(26)25-14(27)28-9-5-7(15(19,20)21)4-8(6-9)16(22,23)24/h1-6H,(H,25,26,27)
InChIKeyJUNALCJJZMGBCW-UHFFFAOYSA-N
XLogP5.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.13
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide
CID 134094337
2,6-dichloro-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 139070486
2,6-dichloro-N-[[5-[3-chloro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]carbamoyl]benzamide
CID 56980860
2,6-dichloro-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912760
N-[[6-[3,5-bis(trifluoromethyl)phenyl]sulfanyl-3-pyridinyl]carbamoyl]-2,6-dichlorobenzamide
CID 12912782
phenyl N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]carbamate
CID 2820524
2-chloro-6-hydroxy-N-[[4-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 19808580
2,6-dichloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide
CID 87120690
2,6-dichloro-N-[[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide
CID 141292043
2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbamoyl]benzamide
CID 13242668
2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]carbamoyl]benzamide
CID 12960044
2,6-dichloro-N-(trifluoromethylsulfonyl)benzamide
CID 134087949

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate (CID 2798658) is [3,5-bis(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate is O=C(NC(=O)c1c(Cl)cccc1Cl)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate?
The InChIKey is JUNALCJJZMGBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7Cl2F6NO3/c17-10-2-1-3-11(18)12(10)13(26)25-14(27)28-9-5-7(15(19,20)21)4-8(6-9)16(22,23)24/h1-6H,(H,25,26,27).
What are the key properties of [3,5-bis(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate?
[3,5-bis(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate has a molecular weight of 446.13 g/mol, XLogP of 5.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate is sourced from PubChem (CID 2798658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).