N-(2,4-dimethoxy-6-methylphenyl)-N-methylcarbamoyl chloride

C11H14ClNO3 — CID 115194561

IUPACN-(2,4-dimethoxy-6-methylphenyl)-N-methylcarbamoyl chloride
SMILESCOc1cc(C)c(N(C)C(=O)Cl)c(OC)c1
InChIInChI=1S/C11H14ClNO3/c1-7-5-8(15-3)6-9(16-4)10(7)13(2)11(12)14/h5-6H,1-4H3
InChIKeyJULNMAUSNAHVTE-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.81
Rot. Bonds3

About N-(2,4-dimethoxy-6-methylphenyl)-N-methylcarbamoyl chloride

N-(2,4-dimethoxy-6-methylphenyl)-N-methylcarbamoyl chloride (PubChem CID 115194561) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is N-(2,4-dimethoxy-6-methylphenyl)-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-(2,4-dimethoxy-6-methylphenyl)-N-methylcarbamoyl chloride
PubChem CID115194561
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC NameN-(2,4-dimethoxy-6-methylphenyl)-N-methylcarbamoyl chloride
SMILESCOc1cc(C)c(N(C)C(=O)Cl)c(OC)c1
InChIInChI=1S/C11H14ClNO3/c1-7-5-8(15-3)6-9(16-4)10(7)13(2)11(12)14/h5-6H,1-4H3
InChIKeyJULNMAUSNAHVTE-UHFFFAOYSA-N
XLogP2.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

N-(2,4-dimethoxy-6-methylphenyl)-4-hydroxy-N-methylbutanamide
CID 115162936
2,4-dimethoxy-N-(methoxymethyl)-N,6-dimethylaniline
CID 115258433
bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353
(2-methoxy-4,6-dimethylphenyl)-methylcarbamic acid
CID 115170774
4-methoxy-2,6-dimethylbenzoyl chloride
CID 12624144
1-(2,4-dimethoxy-N,6-dimethylanilino)-2-methylpropan-2-ol
CID 115136932
2,4,6-trimethoxy-N-methyl-N-oxidobenzamide
CID 163503558
N-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methyl-2-oxopropanamide
CID 115175491
N-[(2,4-dimethoxy-6-methylphenyl)methyl]carbamoyl chloride
CID 115194702
2-(2,4-dimethoxy-6-methylphenyl)prop-2-enoic acid
CID 116843073
4-(2,4,6-trimethoxy-N-methylanilino)butan-2-one
CID 115235550
2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol
CID 115120475

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxy-6-methylphenyl)-N-methylcarbamoyl chloride?
The IUPAC name of N-(2,4-dimethoxy-6-methylphenyl)-N-methylcarbamoyl chloride (CID 115194561) is N-(2,4-dimethoxy-6-methylphenyl)-N-methylcarbamoyl chloride.
What is the SMILES notation for N-(2,4-dimethoxy-6-methylphenyl)-N-methylcarbamoyl chloride?
The canonical SMILES for N-(2,4-dimethoxy-6-methylphenyl)-N-methylcarbamoyl chloride is COc1cc(C)c(N(C)C(=O)Cl)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxy-6-methylphenyl)-N-methylcarbamoyl chloride?
The InChIKey is JULNMAUSNAHVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-7-5-8(15-3)6-9(16-4)10(7)13(2)11(12)14/h5-6H,1-4H3.
What are the key properties of N-(2,4-dimethoxy-6-methylphenyl)-N-methylcarbamoyl chloride?
N-(2,4-dimethoxy-6-methylphenyl)-N-methylcarbamoyl chloride has a molecular weight of 243.69 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxy-6-methylphenyl)-N-methylcarbamoyl chloride is sourced from PubChem (CID 115194561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).