N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl bromide

C11H13BrClNO2 — CID 115193344

IUPACN-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl bromide
SMILESCOc1c(C)c(C)c(Cl)c(C)c1NC(=O)Br
InChIInChI=1S/C11H13BrClNO2/c1-5-6(2)10(16-4)9(14-11(12)15)7(3)8(5)13/h1-4H3,(H,14,15)
InChIKeyZAIMYSUHMYASPQ-UHFFFAOYSA-N
MW306.59 g/mol
LogP4.20
Rot. Bonds2

About N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl bromide

N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl bromide (PubChem CID 115193344) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl bromide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl bromide
PubChem CID115193344
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC NameN-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl bromide
SMILESCOc1c(C)c(C)c(Cl)c(C)c1NC(=O)Br
InChIInChI=1S/C11H13BrClNO2/c1-5-6(2)10(16-4)9(14-11(12)15)7(3)8(5)13/h1-4H3,(H,14,15)
InChIKeyZAIMYSUHMYASPQ-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

6-chloro-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 42625343
3-Chloro-2,4,5-trimethyl-6-(trifluoromethoxy)aniline
CID 54008381
6-chloro-2,2,5,7,8-pentamethyl-4H-1,4-benzoxazin-3-one
CID 42625263
6-chloro-5,7,8-trimethyl-4H-1,4-benzoxazin-3-one
CID 42625604
chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylphenyl) acetamide
CID 129821661
2-Bromo-1-(6-chloro-5,7,8-trimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 42625347
6-Chloro-2,2,5,7,8-pentamethyl-3,4-dihydro-1,4-benzoxazine
CID 42625680
5-Chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran-7-amine
CID 82373084
N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)pyrrolidin-3-amine
CID 115118670
2-(5-Chloro-2-methoxy-3,4,6-trimethylanilino)-2-methylpropanenitrile
CID 115129069
2-(5-Chloro-2-methoxy-3,4,6-trimethylanilino)propanenitrile
CID 115129935
2-(5-chloro-2-methoxy-N,3,4,6-tetramethylanilino)propanenitrile
CID 115130094

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl bromide?
The IUPAC name of N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl bromide (CID 115193344) is N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl bromide.
What is the SMILES notation for N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl bromide?
The canonical SMILES for N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl bromide is COc1c(C)c(C)c(Cl)c(C)c1NC(=O)Br.
What is the InChIKey of N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl bromide?
The InChIKey is ZAIMYSUHMYASPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-5-6(2)10(16-4)9(14-11(12)15)7(3)8(5)13/h1-4H3,(H,14,15).
What are the key properties of N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl bromide?
N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl bromide has a molecular weight of 306.59 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl bromide is sourced from PubChem (CID 115193344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).