propyl N-(2-chloro-4,6-dimethylphenyl)carbamate

C12H16ClNO2 — CID 19174388

IUPACpropyl N-(2-chloro-4,6-dimethylphenyl)carbamate
SMILESCCCOC(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C12H16ClNO2/c1-4-5-16-12(15)14-11-9(3)6-8(2)7-10(11)13/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyUEAGTOOXLGZIMM-UHFFFAOYSA-N
MW241.72 g/mol
LogP3.92
Rot. Bonds3

About propyl N-(2-chloro-4,6-dimethylphenyl)carbamate

propyl N-(2-chloro-4,6-dimethylphenyl)carbamate (PubChem CID 19174388) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is propyl N-(2-chloro-4,6-dimethylphenyl)carbamate.

Molecular Properties

Compound Namepropyl N-(2-chloro-4,6-dimethylphenyl)carbamate
PubChem CID19174388
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Namepropyl N-(2-chloro-4,6-dimethylphenyl)carbamate
SMILESCCCOC(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C12H16ClNO2/c1-4-5-16-12(15)14-11-9(3)6-8(2)7-10(11)13/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyUEAGTOOXLGZIMM-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide
CID 112998242
2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 81223490
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406
N-(2-chloro-4,6-dimethylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178203
1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-pentan-2-yl]urea
CID 51928207
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 7723024
2-(4-bromo-2,6-dimethylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 1191397
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 9139489
N-(2-chloro-4,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110807
ethyl 4-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 8931888
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579062

Frequently Asked Questions

What is the IUPAC name of propyl N-(2-chloro-4,6-dimethylphenyl)carbamate?
The IUPAC name of propyl N-(2-chloro-4,6-dimethylphenyl)carbamate (CID 19174388) is propyl N-(2-chloro-4,6-dimethylphenyl)carbamate.
What is the SMILES notation for propyl N-(2-chloro-4,6-dimethylphenyl)carbamate?
The canonical SMILES for propyl N-(2-chloro-4,6-dimethylphenyl)carbamate is CCCOC(=O)Nc1c(C)cc(C)cc1Cl.
What is the InChIKey of propyl N-(2-chloro-4,6-dimethylphenyl)carbamate?
The InChIKey is UEAGTOOXLGZIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-4-5-16-12(15)14-11-9(3)6-8(2)7-10(11)13/h6-7H,4-5H2,1-3H3,(H,14,15).
What are the key properties of propyl N-(2-chloro-4,6-dimethylphenyl)carbamate?
propyl N-(2-chloro-4,6-dimethylphenyl)carbamate has a molecular weight of 241.72 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(2-chloro-4,6-dimethylphenyl)carbamate is sourced from PubChem (CID 19174388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).