(2-bromo-4-chloro-6-methylphenyl) N-(4-chloro-2-methoxyphenyl)carbamate

C15H12BrCl2NO3 — CID 5161402

IUPAC(2-bromo-4-chloro-6-methylphenyl) N-(4-chloro-2-methoxyphenyl)carbamate
SMILESCOc1cc(Cl)ccc1NC(=O)Oc1c(C)cc(Cl)cc1Br
InChIInChI=1S/C15H12BrCl2NO3/c1-8-5-10(18)6-11(16)14(8)22-15(20)19-12-4-3-9(17)7-13(12)21-2/h3-7H,1-2H3,(H,19,20)
InChIKeyDTAJQESOOFJOCG-UHFFFAOYSA-N
MW405.08 g/mol
LogP5.68
Rot. Bonds3

About (2-bromo-4-chloro-6-methylphenyl) N-(4-chloro-2-methoxyphenyl)carbamate

(2-bromo-4-chloro-6-methylphenyl) N-(4-chloro-2-methoxyphenyl)carbamate (PubChem CID 5161402) has the molecular formula C15H12BrCl2NO3 and a molecular weight of 405.08 g/mol. Its IUPAC name is (2-bromo-4-chloro-6-methylphenyl) N-(4-chloro-2-methoxyphenyl)carbamate.

Molecular Properties

Compound Name(2-bromo-4-chloro-6-methylphenyl) N-(4-chloro-2-methoxyphenyl)carbamate
PubChem CID5161402
Molecular FormulaC15H12BrCl2NO3
Molecular Weight405.08 g/mol
Exact Mass402.94
IUPAC Name(2-bromo-4-chloro-6-methylphenyl) N-(4-chloro-2-methoxyphenyl)carbamate
SMILESCOc1cc(Cl)ccc1NC(=O)Oc1c(C)cc(Cl)cc1Br
InChIInChI=1S/C15H12BrCl2NO3/c1-8-5-10(18)6-11(16)14(8)22-15(20)19-12-4-3-9(17)7-13(12)21-2/h3-7H,1-2H3,(H,19,20)
InChIKeyDTAJQESOOFJOCG-UHFFFAOYSA-N
XLogP5.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.08
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4-chloro-6-methylphenyl) N-(3-methylphenyl)carbamate
CID 4127799
N-(4-chloro-2-methoxyphenyl)acetamide
CID 593884
methyl N-(4-chloro-2-methylphenyl)carbamate
CID 3262623
(2-bromo-4,6-dichlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
CID 4621666
2-bromo-4-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 103763825
(4-bromo-3,5-dimethylphenyl) N-(4-chloro-2-methylphenyl)carbamate
CID 3265597
(2-bromo-4,5-dimethylphenyl) N-(4-chloro-2-nitrophenyl)carbamate
CID 3468712
4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide
CID 78987495
(2-bromo-4-chloro-5-methylphenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 3317523
(5-nitro-2-pyridinyl) N-(4-chloro-2-methoxyphenyl)carbamate
CID 5072040
ethyl N-(5-bromo-4-chloro-2-methoxyphenyl)carbamate
CID 134113322
(4-methoxyphenyl) N-(5-chloro-2-methoxyphenyl)carbamate
CID 3332616

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chloro-6-methylphenyl) N-(4-chloro-2-methoxyphenyl)carbamate?
The IUPAC name of (2-bromo-4-chloro-6-methylphenyl) N-(4-chloro-2-methoxyphenyl)carbamate (CID 5161402) is (2-bromo-4-chloro-6-methylphenyl) N-(4-chloro-2-methoxyphenyl)carbamate.
What is the SMILES notation for (2-bromo-4-chloro-6-methylphenyl) N-(4-chloro-2-methoxyphenyl)carbamate?
The canonical SMILES for (2-bromo-4-chloro-6-methylphenyl) N-(4-chloro-2-methoxyphenyl)carbamate is COc1cc(Cl)ccc1NC(=O)Oc1c(C)cc(Cl)cc1Br.
What is the InChIKey of (2-bromo-4-chloro-6-methylphenyl) N-(4-chloro-2-methoxyphenyl)carbamate?
The InChIKey is DTAJQESOOFJOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2NO3/c1-8-5-10(18)6-11(16)14(8)22-15(20)19-12-4-3-9(17)7-13(12)21-2/h3-7H,1-2H3,(H,19,20).
What are the key properties of (2-bromo-4-chloro-6-methylphenyl) N-(4-chloro-2-methoxyphenyl)carbamate?
(2-bromo-4-chloro-6-methylphenyl) N-(4-chloro-2-methoxyphenyl)carbamate has a molecular weight of 405.08 g/mol, XLogP of 5.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chloro-6-methylphenyl) N-(4-chloro-2-methoxyphenyl)carbamate is sourced from PubChem (CID 5161402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).