phenyl N-[2-chloro-5-(trifluoromethoxy)phenyl]carbamate

C14H9ClF3NO3 — CID 164583961

IUPACphenyl N-[2-chloro-5-(trifluoromethoxy)phenyl]carbamate
SMILESO=C(Nc1cc(OC(F)(F)F)ccc1Cl)Oc1ccccc1
InChIInChI=1S/C14H9ClF3NO3/c15-11-7-6-10(22-14(16,17)18)8-12(11)19-13(20)21-9-4-2-1-3-5-9/h1-8H,(H,19,20)
InChIKeyZTNRKUYLWRSXCY-UHFFFAOYSA-N
MW331.68 g/mol
LogP4.85
Rot. Bonds3

About phenyl N-[2-chloro-5-(trifluoromethoxy)phenyl]carbamate

phenyl N-[2-chloro-5-(trifluoromethoxy)phenyl]carbamate (PubChem CID 164583961) has the molecular formula C14H9ClF3NO3 and a molecular weight of 331.68 g/mol. Its IUPAC name is phenyl N-[2-chloro-5-(trifluoromethoxy)phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-chloro-5-(trifluoromethoxy)phenyl]carbamate
PubChem CID164583961
Molecular FormulaC14H9ClF3NO3
Molecular Weight331.68 g/mol
Exact Mass331.02
IUPAC Namephenyl N-[2-chloro-5-(trifluoromethoxy)phenyl]carbamate
SMILESO=C(Nc1cc(OC(F)(F)F)ccc1Cl)Oc1ccccc1
InChIInChI=1S/C14H9ClF3NO3/c15-11-7-6-10(22-14(16,17)18)8-12(11)19-13(20)21-9-4-2-1-3-5-9/h1-8H,(H,19,20)
InChIKeyZTNRKUYLWRSXCY-UHFFFAOYSA-N
XLogP4.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.68
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze phenyl N-[2-chloro-5-(trifluoromethoxy)phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl N-[3-chloro-5-(trifluoromethoxy)phenyl]carbamate
CID 164584375
phenyl N-[4-chloro-3-(trifluoromethoxy)phenyl]carbamate
CID 118233955
phenyl N-(5-bromo-4-chloro-2-fluorophenyl)carbamate
CID 166590808
phenyl N-(4-chloro-2-fluoro-5-methylphenyl)carbamate
CID 18615647
3,5-dichloro-4-(phenoxycarbonylamino)benzoic acid
CID 82811858
phenyl N-(2-fluorophenyl)carbamate
CID 3790948
(3,5-dichlorophenyl) N-(2,5-dichlorophenyl)carbamate
CID 134103774
[4-(trifluoromethoxy)phenyl] N-aminocarbamate
CID 143175748
2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38257874
pyridin-3-yl N-(2,5-dichlorophenyl)carbamate
CID 4143685
2-chloro-5-(trifluoromethoxy)benzamide
CID 119004987
[4-(trifluoromethoxy)phenyl] N-chlorosulfonylcarbamate
CID 116799211

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-chloro-5-(trifluoromethoxy)phenyl]carbamate?
The IUPAC name of phenyl N-[2-chloro-5-(trifluoromethoxy)phenyl]carbamate (CID 164583961) is phenyl N-[2-chloro-5-(trifluoromethoxy)phenyl]carbamate.
What is the SMILES notation for phenyl N-[2-chloro-5-(trifluoromethoxy)phenyl]carbamate?
The canonical SMILES for phenyl N-[2-chloro-5-(trifluoromethoxy)phenyl]carbamate is O=C(Nc1cc(OC(F)(F)F)ccc1Cl)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-chloro-5-(trifluoromethoxy)phenyl]carbamate?
The InChIKey is ZTNRKUYLWRSXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO3/c15-11-7-6-10(22-14(16,17)18)8-12(11)19-13(20)21-9-4-2-1-3-5-9/h1-8H,(H,19,20).
What are the key properties of phenyl N-[2-chloro-5-(trifluoromethoxy)phenyl]carbamate?
phenyl N-[2-chloro-5-(trifluoromethoxy)phenyl]carbamate has a molecular weight of 331.68 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-chloro-5-(trifluoromethoxy)phenyl]carbamate is sourced from PubChem (CID 164583961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).