ethyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate

C11H14ClNO3 — CID 731693

IUPACethyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate
SMILESCCOC(=O)Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C11H14ClNO3/c1-4-16-11(14)13-9-5-7(2)8(12)6-10(9)15-3/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyFVQNWGSADYLMJU-UHFFFAOYSA-N
MW243.69 g/mol
LogP3.23
Rot. Bonds3

About ethyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate

ethyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate (PubChem CID 731693) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is ethyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate
PubChem CID731693
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Nameethyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate
SMILESCCOC(=O)Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C11H14ClNO3/c1-4-16-11(14)13-9-5-7(2)8(12)6-10(9)15-3/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyFVQNWGSADYLMJU-UHFFFAOYSA-N
XLogP3.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate?
The IUPAC name of ethyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate (CID 731693) is ethyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate.
What is the SMILES notation for ethyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate?
The canonical SMILES for ethyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate is CCOC(=O)Nc1cc(C)c(Cl)cc1OC.
What is the InChIKey of ethyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate?
The InChIKey is FVQNWGSADYLMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-4-16-11(14)13-9-5-7(2)8(12)6-10(9)15-3/h5-6H,4H2,1-3H3,(H,13,14).
What are the key properties of ethyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate?
ethyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate has a molecular weight of 243.69 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-chloro-2-methoxy-5-methylphenyl)carbamate is sourced from PubChem (CID 731693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).