N-(2,4-dimethoxy-3-methylphenyl)carbamoyl chloride

C10H12ClNO3 — CID 115194384

IUPACN-(2,4-dimethoxy-3-methylphenyl)carbamoyl chloride
SMILESCOc1ccc(NC(=O)Cl)c(OC)c1C
InChIInChI=1S/C10H12ClNO3/c1-6-8(14-2)5-4-7(9(6)15-3)12-10(11)13/h4-5H,1-3H3,(H,12,13)
InChIKeyOKDYKVHMPNYJLF-UHFFFAOYSA-N
MW229.66 g/mol
LogP2.78
Rot. Bonds3

About N-(2,4-dimethoxy-3-methylphenyl)carbamoyl chloride

N-(2,4-dimethoxy-3-methylphenyl)carbamoyl chloride (PubChem CID 115194384) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is N-(2,4-dimethoxy-3-methylphenyl)carbamoyl chloride.

Molecular Properties

Compound NameN-(2,4-dimethoxy-3-methylphenyl)carbamoyl chloride
PubChem CID115194384
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC NameN-(2,4-dimethoxy-3-methylphenyl)carbamoyl chloride
SMILESCOc1ccc(NC(=O)Cl)c(OC)c1C
InChIInChI=1S/C10H12ClNO3/c1-6-8(14-2)5-4-7(9(6)15-3)12-10(11)13/h4-5H,1-3H3,(H,12,13)
InChIKeyOKDYKVHMPNYJLF-UHFFFAOYSA-N
XLogP2.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 52.78
H-Bond Donors ≤ 51
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-3-methylphenyl)-2-oxoacetamide
CID 115165932
N-(2,4-dimethoxy-3-methylphenyl)-2-sulfanylacetamide
CID 115166939
1-(2,4-dimethoxy-3-methylphenyl)-3-phenylurea
CID 110774594
N-(2,4-dimethoxy-3-methylphenyl)cyclopentanecarboxamide
CID 110777847
N-(2,4-dimethoxy-3-methylphenyl)azetidine-3-carboxamide
CID 115158658
N-(4-methoxy-2,3-dimethylphenyl)-2-methylpropanamide
CID 110777719
2-(2,4-dimethoxy-3-methylanilino)-2-methylpropanoic acid
CID 115127771
N-(2,4-dimethoxy-3-methylphenyl)pyridine-3-carboxamide
CID 110777868
N-(2,4-dimethoxy-3-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 110777877
3-acetamido-N-(2,4-dimethoxy-3-methylphenyl)benzamide
CID 110792976
N-(3-chloro-2,4-dimethoxyphenyl)acetamide
CID 91691937
4-(2,4-dimethoxy-3-methylanilino)butanoic acid
CID 115218452

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxy-3-methylphenyl)carbamoyl chloride?
The IUPAC name of N-(2,4-dimethoxy-3-methylphenyl)carbamoyl chloride (CID 115194384) is N-(2,4-dimethoxy-3-methylphenyl)carbamoyl chloride.
What is the SMILES notation for N-(2,4-dimethoxy-3-methylphenyl)carbamoyl chloride?
The canonical SMILES for N-(2,4-dimethoxy-3-methylphenyl)carbamoyl chloride is COc1ccc(NC(=O)Cl)c(OC)c1C.
What is the InChIKey of N-(2,4-dimethoxy-3-methylphenyl)carbamoyl chloride?
The InChIKey is OKDYKVHMPNYJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-6-8(14-2)5-4-7(9(6)15-3)12-10(11)13/h4-5H,1-3H3,(H,12,13).
What are the key properties of N-(2,4-dimethoxy-3-methylphenyl)carbamoyl chloride?
N-(2,4-dimethoxy-3-methylphenyl)carbamoyl chloride has a molecular weight of 229.66 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxy-3-methylphenyl)carbamoyl chloride is sourced from PubChem (CID 115194384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).