[4-(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate

C15H8Cl2F3NO3 — CID 2798664

IUPAC[4-(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H8Cl2F3NO3/c16-10-2-1-3-11(17)12(10)13(22)21-14(23)24-9-6-4-8(5-7-9)15(18,19)20/h1-7H,(H,21,22,23)
InChIKeyRDLBXKYBWGQTMY-UHFFFAOYSA-N
MW378.13 g/mol
LogP4.94
Rot. Bonds2

About [4-(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate

[4-(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate (PubChem CID 2798664) has the molecular formula C15H8Cl2F3NO3 and a molecular weight of 378.13 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate
PubChem CID2798664
Molecular FormulaC15H8Cl2F3NO3
Molecular Weight378.13 g/mol
Exact Mass376.98
IUPAC Name[4-(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H8Cl2F3NO3/c16-10-2-1-3-11(17)12(10)13(22)21-14(23)24-9-6-4-8(5-7-9)15(18,19)20/h1-7H,(H,21,22,23)
InChIKeyRDLBXKYBWGQTMY-UHFFFAOYSA-N
XLogP4.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.13
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate?
The IUPAC name of [4-(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate (CID 2798664) is [4-(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate.
What is the SMILES notation for [4-(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate?
The canonical SMILES for [4-(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate is O=C(NC(=O)c1c(Cl)cccc1Cl)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate?
The InChIKey is RDLBXKYBWGQTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2F3NO3/c16-10-2-1-3-11(17)12(10)13(22)21-14(23)24-9-6-4-8(5-7-9)15(18,19)20/h1-7H,(H,21,22,23).
What are the key properties of [4-(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate?
[4-(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate has a molecular weight of 378.13 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate is sourced from PubChem (CID 2798664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).