(2,4-dibromo-6-chlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate

C14H6Br2Cl2F3NO2 — CID 4685388

IUPAC(2,4-dibromo-6-chlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)Oc1c(Cl)cc(Br)cc1Br
InChIInChI=1S/C14H6Br2Cl2F3NO2/c15-6-3-9(16)12(10(18)4-6)24-13(23)22-11-2-1-7(17)5-8(11)14(19,20)21/h1-5H,(H,22,23)
InChIKeyCJVOKCRVPKRKGG-UHFFFAOYSA-N
MW507.92 g/mol
LogP7.15
Rot. Bonds2

About (2,4-dibromo-6-chlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate

(2,4-dibromo-6-chlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate (PubChem CID 4685388) has the molecular formula C14H6Br2Cl2F3NO2 and a molecular weight of 507.92 g/mol. Its IUPAC name is (2,4-dibromo-6-chlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Name(2,4-dibromo-6-chlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
PubChem CID4685388
Molecular FormulaC14H6Br2Cl2F3NO2
Molecular Weight507.92 g/mol
Exact Mass504.81
IUPAC Name(2,4-dibromo-6-chlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)Oc1c(Cl)cc(Br)cc1Br
InChIInChI=1S/C14H6Br2Cl2F3NO2/c15-6-3-9(16)12(10(18)4-6)24-13(23)22-11-2-1-7(17)5-8(11)14(19,20)21/h1-5H,(H,22,23)
InChIKeyCJVOKCRVPKRKGG-UHFFFAOYSA-N
XLogP7.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.92
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4,6-dichlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
CID 4621666
3,5-dibromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-iodobenzamide
CID 4209824
(2-bromo-5-phenylphenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
CID 134118223
(2-fluorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
CID 3642626
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,4-dichlorobenzoyl)amino]urea
CID 4643198
1-tert-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108896918
2-(2-chloro-4,6-dimethylphenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 4512628
1-[1-(4-bromophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 3866412
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103029050
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea
CID 3867881

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromo-6-chlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of (2,4-dibromo-6-chlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate (CID 4685388) is (2,4-dibromo-6-chlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for (2,4-dibromo-6-chlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for (2,4-dibromo-6-chlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate is O=C(Nc1ccc(Cl)cc1C(F)(F)F)Oc1c(Cl)cc(Br)cc1Br.
What is the InChIKey of (2,4-dibromo-6-chlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate?
The InChIKey is CJVOKCRVPKRKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Br2Cl2F3NO2/c15-6-3-9(16)12(10(18)4-6)24-13(23)22-11-2-1-7(17)5-8(11)14(19,20)21/h1-5H,(H,22,23).
What are the key properties of (2,4-dibromo-6-chlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate?
(2,4-dibromo-6-chlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate has a molecular weight of 507.92 g/mol, XLogP of 7.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromo-6-chlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 4685388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).