N-methyl-N-(2,4,6-trichlorophenyl)formamide

C8H6Cl3NO — CID 87333483

IUPACN-methyl-N-(2,4,6-trichlorophenyl)formamide
SMILESCN(C=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl3NO/c1-12(4-13)8-6(10)2-5(9)3-7(8)11/h2-4H,1H3
InChIKeyMWROEGMTRNVGMZ-UHFFFAOYSA-N
MW238.50 g/mol
LogP3.24
Rot. Bonds2

About N-methyl-N-(2,4,6-trichlorophenyl)formamide

N-methyl-N-(2,4,6-trichlorophenyl)formamide (PubChem CID 87333483) has the molecular formula C8H6Cl3NO and a molecular weight of 238.50 g/mol. Its IUPAC name is N-methyl-N-(2,4,6-trichlorophenyl)formamide.

Molecular Properties

Compound NameN-methyl-N-(2,4,6-trichlorophenyl)formamide
PubChem CID87333483
Molecular FormulaC8H6Cl3NO
Molecular Weight238.50 g/mol
Exact Mass236.95
IUPAC NameN-methyl-N-(2,4,6-trichlorophenyl)formamide
SMILESCN(C=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl3NO/c1-12(4-13)8-6(10)2-5(9)3-7(8)11/h2-4H,1H3
InChIKeyMWROEGMTRNVGMZ-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.50
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,4,6-trichlorophenyl)formamide?
The IUPAC name of N-methyl-N-(2,4,6-trichlorophenyl)formamide (CID 87333483) is N-methyl-N-(2,4,6-trichlorophenyl)formamide.
What is the SMILES notation for N-methyl-N-(2,4,6-trichlorophenyl)formamide?
The canonical SMILES for N-methyl-N-(2,4,6-trichlorophenyl)formamide is CN(C=O)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of N-methyl-N-(2,4,6-trichlorophenyl)formamide?
The InChIKey is MWROEGMTRNVGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl3NO/c1-12(4-13)8-6(10)2-5(9)3-7(8)11/h2-4H,1H3.
What are the key properties of N-methyl-N-(2,4,6-trichlorophenyl)formamide?
N-methyl-N-(2,4,6-trichlorophenyl)formamide has a molecular weight of 238.50 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,4,6-trichlorophenyl)formamide is sourced from PubChem (CID 87333483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).