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

C11H13Cl2NO2 — CID 115194440

IUPACN-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride
SMILESCOc1c(C)c(C)c(Cl)c(C)c1NC(=O)Cl
InChIInChI=1S/C11H13Cl2NO2/c1-5-6(2)10(16-4)9(14-11(13)15)7(3)8(5)12/h1-4H3,(H,14,15)
InChIKeyHKRLEURDUPVELG-UHFFFAOYSA-N
MW262.14 g/mol
LogP4.04
Rot. Bonds2

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

N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride (PubChem CID 115194440) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride.

Molecular Properties

Compound NameN-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride
PubChem CID115194440
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC NameN-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride
SMILESCOc1c(C)c(C)c(Cl)c(C)c1NC(=O)Cl
InChIInChI=1S/C11H13Cl2NO2/c1-5-6(2)10(16-4)9(14-11(13)15)7(3)8(5)12/h1-4H3,(H,14,15)
InChIKeyHKRLEURDUPVELG-UHFFFAOYSA-N
XLogP4.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 54.04
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
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
2-(5-Chloro-2-methoxy-3,4,6-trimethylanilino)acetonitrile
CID 115130807

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride?
The IUPAC name of N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride (CID 115194440) is N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride.
What is the SMILES notation for N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride?
The canonical SMILES for N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride is COc1c(C)c(C)c(Cl)c(C)c1NC(=O)Cl.
What is the InChIKey of N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride?
The InChIKey is HKRLEURDUPVELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-5-6(2)10(16-4)9(14-11(13)15)7(3)8(5)12/h1-4H3,(H,14,15).
What are the key properties of N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride?
N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)carbamoyl chloride has a molecular weight of 262.14 g/mol, XLogP of 4.04, 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 chloride is sourced from PubChem (CID 115194440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).