[(1R)-1-(2,4-dichlorophenyl)hexyl] carbamate

C13H17Cl2NO2 — CID 144705770

IUPAC[(1R)-1-(2,4-dichlorophenyl)hexyl] carbamate
SMILESCCCCC[C@@H](OC(N)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-2-3-4-5-12(18-13(16)17)10-7-6-9(14)8-11(10)15/h6-8,12H,2-5H2,1H3,(H2,16,17)/t12-/m1/s1
InChIKeyRCDQXGIELLVDOQ-GFCCVEGCSA-N
MW290.19 g/mol
LogP4.71
Rot. Bonds6

About [(1R)-1-(2,4-dichlorophenyl)hexyl] carbamate

[(1R)-1-(2,4-dichlorophenyl)hexyl] carbamate (PubChem CID 144705770) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is [(1R)-1-(2,4-dichlorophenyl)hexyl] carbamate.

Molecular Properties

Compound Name[(1R)-1-(2,4-dichlorophenyl)hexyl] carbamate
PubChem CID144705770
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name[(1R)-1-(2,4-dichlorophenyl)hexyl] carbamate
SMILESCCCCC[C@@H](OC(N)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-2-3-4-5-12(18-13(16)17)10-7-6-9(14)8-11(10)15/h6-8,12H,2-5H2,1H3,(H2,16,17)/t12-/m1/s1
InChIKeyRCDQXGIELLVDOQ-GFCCVEGCSA-N
XLogP4.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(2,4-dichlorophenyl)-2-hydroxyhexyl] carbamate
CID 56596318
[(3S)-1-(2,4-dichlorophenyl)-4-(methoxymethoxy)-3-methylbutyl] carbamate
CID 175407200
[(1R)-1-(2,4-dichlorophenyl)-2-(triazol-2-yl)ethyl] carbamate
CID 11962489
[(2R)-1-(2,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate
CID 145362480
[(R)-(2,4-dichlorophenyl)-diethoxyphosphorylmethyl] carbamate
CID 2317807
1-(1-bromodecyl)-2,4-dichlorobenzene
CID 65427160
1-(2,4-dichlorophenyl)heptylhydrazine
CID 105293920
butyl 3-amino-3-(2,4-dichlorophenyl)propanoate
CID 23109963
6-amino-6-(2,4-dichlorophenyl)hexanamide
CID 61271207
(2R)-1-(2,4-dichlorophenyl)hexane-1,2-diol
CID 147495518
1-(2-chlorophenyl)pentyl acetate
CID 141200843
(2S)-2-amino-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]hexanamide
CID 93339949

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2,4-dichlorophenyl)hexyl] carbamate?
The IUPAC name of [(1R)-1-(2,4-dichlorophenyl)hexyl] carbamate (CID 144705770) is [(1R)-1-(2,4-dichlorophenyl)hexyl] carbamate.
What is the SMILES notation for [(1R)-1-(2,4-dichlorophenyl)hexyl] carbamate?
The canonical SMILES for [(1R)-1-(2,4-dichlorophenyl)hexyl] carbamate is CCCCC[C@@H](OC(N)=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of [(1R)-1-(2,4-dichlorophenyl)hexyl] carbamate?
The InChIKey is RCDQXGIELLVDOQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-2-3-4-5-12(18-13(16)17)10-7-6-9(14)8-11(10)15/h6-8,12H,2-5H2,1H3,(H2,16,17)/t12-/m1/s1.
What are the key properties of [(1R)-1-(2,4-dichlorophenyl)hexyl] carbamate?
[(1R)-1-(2,4-dichlorophenyl)hexyl] carbamate has a molecular weight of 290.19 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2,4-dichlorophenyl)hexyl] carbamate is sourced from PubChem (CID 144705770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).