[2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl] carbamate

C14H9ClF3NO2 — CID 121375004

IUPAC[2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl] carbamate
SMILESNC(=O)Oc1ccc(C(F)(F)F)cc1-c1cccc(Cl)c1
InChIInChI=1S/C14H9ClF3NO2/c15-10-3-1-2-8(6-10)11-7-9(14(16,17)18)4-5-12(11)21-13(19)20/h1-7H,(H2,19,20)
InChIKeyCRZJBANRZBQRSF-UHFFFAOYSA-N
MW315.68 g/mol
LogP4.48
Rot. Bonds2

About [2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl] carbamate

[2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl] carbamate (PubChem CID 121375004) has the molecular formula C14H9ClF3NO2 and a molecular weight of 315.68 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl] carbamate.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl] carbamate
PubChem CID121375004
Molecular FormulaC14H9ClF3NO2
Molecular Weight315.68 g/mol
Exact Mass315.03
IUPAC Name[2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl] carbamate
SMILESNC(=O)Oc1ccc(C(F)(F)F)cc1-c1cccc(Cl)c1
InChIInChI=1S/C14H9ClF3NO2/c15-10-3-1-2-8(6-10)11-7-9(14(16,17)18)4-5-12(11)21-13(19)20/h1-7H,(H2,19,20)
InChIKeyCRZJBANRZBQRSF-UHFFFAOYSA-N
XLogP4.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(3-chlorophenyl)-4-(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl] carbamate?
The IUPAC name of [2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl] carbamate (CID 121375004) is [2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl] carbamate.
What is the SMILES notation for [2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl] carbamate?
The canonical SMILES for [2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl] carbamate is NC(=O)Oc1ccc(C(F)(F)F)cc1-c1cccc(Cl)c1.
What is the InChIKey of [2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl] carbamate?
The InChIKey is CRZJBANRZBQRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO2/c15-10-3-1-2-8(6-10)11-7-9(14(16,17)18)4-5-12(11)21-13(19)20/h1-7H,(H2,19,20).
What are the key properties of [2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl] carbamate?
[2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl] carbamate has a molecular weight of 315.68 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl] carbamate is sourced from PubChem (CID 121375004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).