ethyl N-(3,4-dichloro-2-cyclohexylphenyl)carbamate

C15H19Cl2NO2 — CID 70477773

IUPACethyl N-(3,4-dichloro-2-cyclohexylphenyl)carbamate
SMILESCCOC(=O)Nc1ccc(Cl)c(Cl)c1C1CCCCC1
InChIInChI=1S/C15H19Cl2NO2/c1-2-20-15(19)18-12-9-8-11(16)14(17)13(12)10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,18,19)
InChIKeyYVPCZMYDGHFBBB-UHFFFAOYSA-N
MW316.23 g/mol
LogP5.61
Rot. Bonds3

About ethyl N-(3,4-dichloro-2-cyclohexylphenyl)carbamate

ethyl N-(3,4-dichloro-2-cyclohexylphenyl)carbamate (PubChem CID 70477773) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is ethyl N-(3,4-dichloro-2-cyclohexylphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3,4-dichloro-2-cyclohexylphenyl)carbamate
PubChem CID70477773
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Nameethyl N-(3,4-dichloro-2-cyclohexylphenyl)carbamate
SMILESCCOC(=O)Nc1ccc(Cl)c(Cl)c1C1CCCCC1
InChIInChI=1S/C15H19Cl2NO2/c1-2-20-15(19)18-12-9-8-11(16)14(17)13(12)10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,18,19)
InChIKeyYVPCZMYDGHFBBB-UHFFFAOYSA-N
XLogP5.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.23
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(3,4-dichloro-2-cyclohexylphenyl)carbamate?
The IUPAC name of ethyl N-(3,4-dichloro-2-cyclohexylphenyl)carbamate (CID 70477773) is ethyl N-(3,4-dichloro-2-cyclohexylphenyl)carbamate.
What is the SMILES notation for ethyl N-(3,4-dichloro-2-cyclohexylphenyl)carbamate?
The canonical SMILES for ethyl N-(3,4-dichloro-2-cyclohexylphenyl)carbamate is CCOC(=O)Nc1ccc(Cl)c(Cl)c1C1CCCCC1.
What is the InChIKey of ethyl N-(3,4-dichloro-2-cyclohexylphenyl)carbamate?
The InChIKey is YVPCZMYDGHFBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-2-20-15(19)18-12-9-8-11(16)14(17)13(12)10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,18,19).
What are the key properties of ethyl N-(3,4-dichloro-2-cyclohexylphenyl)carbamate?
ethyl N-(3,4-dichloro-2-cyclohexylphenyl)carbamate has a molecular weight of 316.23 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3,4-dichloro-2-cyclohexylphenyl)carbamate is sourced from PubChem (CID 70477773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).