ethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate

C10H11Cl2NO3 — CID 102371943

IUPACethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate
SMILESCCOC(=O)Nc1cc(Cl)c(C)c(Cl)c1O
InChIInChI=1S/C10H11Cl2NO3/c1-3-16-10(15)13-7-4-6(11)5(2)8(12)9(7)14/h4,14H,3H2,1-2H3,(H,13,15)
InChIKeyVPRJOMIQMBWAJM-UHFFFAOYSA-N
MW264.11 g/mol
LogP3.58
Rot. Bonds2

About ethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate

ethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate (PubChem CID 102371943) has the molecular formula C10H11Cl2NO3 and a molecular weight of 264.11 g/mol. Its IUPAC name is ethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate
PubChem CID102371943
Molecular FormulaC10H11Cl2NO3
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Nameethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate
SMILESCCOC(=O)Nc1cc(Cl)c(C)c(Cl)c1O
InChIInChI=1S/C10H11Cl2NO3/c1-3-16-10(15)13-7-4-6(11)5(2)8(12)9(7)14/h4,14H,3H2,1-2H3,(H,13,15)
InChIKeyVPRJOMIQMBWAJM-UHFFFAOYSA-N
XLogP3.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichloro-2-hydroxy-4-methylphenyl)propanamide
CID 59817322
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)butanamide
CID 19093274
1-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-[[(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamoylamino]methyl]urea
CID 58828937
(3,5-dichloro-2-hydroxy-4-methylphenyl)thiourea
CID 169359962
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-N'-(3,5-dichloro-2-hydroxyphenyl)oxamide
CID 11293160
ethyl N-(5-chloro-2-iodo-4-methylphenyl)carbamate
CID 131846229
(3-octylphenyl) N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate
CID 101298579
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-ethyl-4-methylphenoxy)butanamide
CID 18716695
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-octadecoxybenzamide
CID 5236290
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 23566060
ethyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 64787909
ethyl N-(2,4-dichloro-6-hydroxyphenyl)carbamate
CID 54000840

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate?
The IUPAC name of ethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate (CID 102371943) is ethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate.
What is the SMILES notation for ethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate?
The canonical SMILES for ethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate is CCOC(=O)Nc1cc(Cl)c(C)c(Cl)c1O.
What is the InChIKey of ethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate?
The InChIKey is VPRJOMIQMBWAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3/c1-3-16-10(15)13-7-4-6(11)5(2)8(12)9(7)14/h4,14H,3H2,1-2H3,(H,13,15).
What are the key properties of ethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate?
ethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate has a molecular weight of 264.11 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate is sourced from PubChem (CID 102371943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).