[4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N,N-diphenylcarbamate

C27H18ClF3N2O3 — CID 118707138

IUPAC[4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N,N-diphenylcarbamate
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1OC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H18ClF3N2O3/c28-19-13-16-24(23(17-19)25(34)32-20-14-11-18(12-15-20)27(29,30)31)36-26(35)33(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-17H,(H,32,34)
InChIKeyIQLNONBUDYECME-UHFFFAOYSA-N
MW510.90 g/mol
LogP7.95
Rot. Bonds5

About [4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N,N-diphenylcarbamate

[4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N,N-diphenylcarbamate (PubChem CID 118707138) has the molecular formula C27H18ClF3N2O3 and a molecular weight of 510.90 g/mol. Its IUPAC name is [4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N,N-diphenylcarbamate.

Molecular Properties

Compound Name[4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N,N-diphenylcarbamate
PubChem CID118707138
Molecular FormulaC27H18ClF3N2O3
Molecular Weight510.90 g/mol
Exact Mass510.10
IUPAC Name[4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N,N-diphenylcarbamate
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1OC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H18ClF3N2O3/c28-19-13-16-24(23(17-19)25(34)32-20-14-11-18(12-15-20)27(29,30)31)36-26(35)33(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-17H,(H,32,34)
InChIKeyIQLNONBUDYECME-UHFFFAOYSA-N
XLogP7.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.90
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N,N-diphenylcarbamate 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 [4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N,N-diphenylcarbamate?
The IUPAC name of [4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N,N-diphenylcarbamate (CID 118707138) is [4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N,N-diphenylcarbamate.
What is the SMILES notation for [4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N,N-diphenylcarbamate?
The canonical SMILES for [4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N,N-diphenylcarbamate is O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1OC(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of [4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N,N-diphenylcarbamate?
The InChIKey is IQLNONBUDYECME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClF3N2O3/c28-19-13-16-24(23(17-19)25(34)32-20-14-11-18(12-15-20)27(29,30)31)36-26(35)33(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-17H,(H,32,34).
What are the key properties of [4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N,N-diphenylcarbamate?
[4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N,N-diphenylcarbamate has a molecular weight of 510.90 g/mol, XLogP of 7.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N,N-diphenylcarbamate is sourced from PubChem (CID 118707138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).