(2-bromo-5-phenylphenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate

C20H12BrClF3NO2 — CID 134118223

IUPAC(2-bromo-5-phenylphenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)Oc1cc(-c2ccccc2)ccc1Br
InChIInChI=1S/C20H12BrClF3NO2/c21-16-8-6-13(12-4-2-1-3-5-12)10-18(16)28-19(27)26-17-9-7-14(22)11-15(17)20(23,24)25/h1-11H,(H,26,27)
InChIKeyDXLZUFUIZJGKQZ-UHFFFAOYSA-N
MW470.67 g/mol
LogP7.40
Rot. Bonds3

About (2-bromo-5-phenylphenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate

(2-bromo-5-phenylphenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate (PubChem CID 134118223) has the molecular formula C20H12BrClF3NO2 and a molecular weight of 470.67 g/mol. Its IUPAC name is (2-bromo-5-phenylphenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Name(2-bromo-5-phenylphenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
PubChem CID134118223
Molecular FormulaC20H12BrClF3NO2
Molecular Weight470.67 g/mol
Exact Mass468.97
IUPAC Name(2-bromo-5-phenylphenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)Oc1cc(-c2ccccc2)ccc1Br
InChIInChI=1S/C20H12BrClF3NO2/c21-16-8-6-13(12-4-2-1-3-5-12)10-18(16)28-19(27)26-17-9-7-14(22)11-15(17)20(23,24)25/h1-11H,(H,26,27)
InChIKeyDXLZUFUIZJGKQZ-UHFFFAOYSA-N
XLogP7.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.67
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
CID 3642626
(2-bromo-4,6-dichlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
CID 4621666
(2,4-dibromo-6-chlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
CID 4685388
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea
CID 108866565
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(phenoxymethyl)urea
CID 108889014
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-sulfanylphenyl)urea
CID 108886509
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide
CID 18892483
3-[4-chloro-2-(trifluoromethyl)phenyl]-1-methyl-1-phenylurea
CID 108991173
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 108894207
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-phenylphenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of (2-bromo-5-phenylphenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate (CID 134118223) is (2-bromo-5-phenylphenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for (2-bromo-5-phenylphenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for (2-bromo-5-phenylphenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate is O=C(Nc1ccc(Cl)cc1C(F)(F)F)Oc1cc(-c2ccccc2)ccc1Br.
What is the InChIKey of (2-bromo-5-phenylphenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate?
The InChIKey is DXLZUFUIZJGKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrClF3NO2/c21-16-8-6-13(12-4-2-1-3-5-12)10-18(16)28-19(27)26-17-9-7-14(22)11-15(17)20(23,24)25/h1-11H,(H,26,27).
What are the key properties of (2-bromo-5-phenylphenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate?
(2-bromo-5-phenylphenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate has a molecular weight of 470.67 g/mol, XLogP of 7.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-phenylphenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 134118223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).