[3-[[2-(trifluoromethyl)benzoyl]amino]phenyl] N,N-dimethylcarbamate

C17H15F3N2O3 — CID 2739040

IUPAC[3-[[2-(trifluoromethyl)benzoyl]amino]phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H15F3N2O3/c1-22(2)16(24)25-12-7-5-6-11(10-12)21-15(23)13-8-3-4-9-14(13)17(18,19)20/h3-10H,1-2H3,(H,21,23)
InChIKeyNXWJFSBCFZUHFK-UHFFFAOYSA-N
MW352.31 g/mol
LogP4.02
Rot. Bonds3

About [3-[[2-(trifluoromethyl)benzoyl]amino]phenyl] N,N-dimethylcarbamate

[3-[[2-(trifluoromethyl)benzoyl]amino]phenyl] N,N-dimethylcarbamate (PubChem CID 2739040) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is [3-[[2-(trifluoromethyl)benzoyl]amino]phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-[[2-(trifluoromethyl)benzoyl]amino]phenyl] N,N-dimethylcarbamate
PubChem CID2739040
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC Name[3-[[2-(trifluoromethyl)benzoyl]amino]phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H15F3N2O3/c1-22(2)16(24)25-12-7-5-6-11(10-12)21-15(23)13-8-3-4-9-14(13)17(18,19)20/h3-10H,1-2H3,(H,21,23)
InChIKeyNXWJFSBCFZUHFK-UHFFFAOYSA-N
XLogP4.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[[2-(trifluoromethyl)benzoyl]amino]phenyl] N,N-dimethylcarbamate?
The IUPAC name of [3-[[2-(trifluoromethyl)benzoyl]amino]phenyl] N,N-dimethylcarbamate (CID 2739040) is [3-[[2-(trifluoromethyl)benzoyl]amino]phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-[[2-(trifluoromethyl)benzoyl]amino]phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [3-[[2-(trifluoromethyl)benzoyl]amino]phenyl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1.
What is the InChIKey of [3-[[2-(trifluoromethyl)benzoyl]amino]phenyl] N,N-dimethylcarbamate?
The InChIKey is NXWJFSBCFZUHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c1-22(2)16(24)25-12-7-5-6-11(10-12)21-15(23)13-8-3-4-9-14(13)17(18,19)20/h3-10H,1-2H3,(H,21,23).
What are the key properties of [3-[[2-(trifluoromethyl)benzoyl]amino]phenyl] N,N-dimethylcarbamate?
[3-[[2-(trifluoromethyl)benzoyl]amino]phenyl] N,N-dimethylcarbamate has a molecular weight of 352.31 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(trifluoromethyl)benzoyl]amino]phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 2739040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).