(2-bromo-4,6-dichlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate

C14H6BrCl3F3NO2 — CID 4621666

IUPAC(2-bromo-4,6-dichlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)Oc1c(Cl)cc(Cl)cc1Br
InChIInChI=1S/C14H6BrCl3F3NO2/c15-9-4-7(17)5-10(18)12(9)24-13(23)22-11-2-1-6(16)3-8(11)14(19,20)21/h1-5H,(H,22,23)
InChIKeyNPAWTALWJZWKPT-UHFFFAOYSA-N
MW463.46 g/mol
LogP7.04
Rot. Bonds2

About (2-bromo-4,6-dichlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate

(2-bromo-4,6-dichlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate (PubChem CID 4621666) has the molecular formula C14H6BrCl3F3NO2 and a molecular weight of 463.46 g/mol. Its IUPAC name is (2-bromo-4,6-dichlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Name(2-bromo-4,6-dichlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
PubChem CID4621666
Molecular FormulaC14H6BrCl3F3NO2
Molecular Weight463.46 g/mol
Exact Mass460.86
IUPAC Name(2-bromo-4,6-dichlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)Oc1c(Cl)cc(Cl)cc1Br
InChIInChI=1S/C14H6BrCl3F3NO2/c15-9-4-7(17)5-10(18)12(9)24-13(23)22-11-2-1-6(16)3-8(11)14(19,20)21/h1-5H,(H,22,23)
InChIKeyNPAWTALWJZWKPT-UHFFFAOYSA-N
XLogP7.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.46
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dibromo-6-chlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
CID 4685388
(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
(2-bromo-4-chloro-6-methylphenyl) N-(4-chloro-2-methoxyphenyl)carbamate
CID 5161402
1-tert-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108896918
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103029050
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea
CID 3867881
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2,2-dimethoxyethyl)oxamide
CID 108530055
3,5-dibromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-iodobenzamide
CID 4209824

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,6-dichlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of (2-bromo-4,6-dichlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate (CID 4621666) is (2-bromo-4,6-dichlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for (2-bromo-4,6-dichlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for (2-bromo-4,6-dichlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate is O=C(Nc1ccc(Cl)cc1C(F)(F)F)Oc1c(Cl)cc(Cl)cc1Br.
What is the InChIKey of (2-bromo-4,6-dichlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate?
The InChIKey is NPAWTALWJZWKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6BrCl3F3NO2/c15-9-4-7(17)5-10(18)12(9)24-13(23)22-11-2-1-6(16)3-8(11)14(19,20)21/h1-5H,(H,22,23).
What are the key properties of (2-bromo-4,6-dichlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate?
(2-bromo-4,6-dichlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate has a molecular weight of 463.46 g/mol, XLogP of 7.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,6-dichlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 4621666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).