1-(4-chlorophenyl)ethyl N-(2-methoxyphenyl)carbamate

C16H16ClNO3 — CID 4885255

IUPAC1-(4-chlorophenyl)ethyl N-(2-methoxyphenyl)carbamate
SMILESCOc1ccccc1NC(=O)OC(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO3/c1-11(12-7-9-13(17)10-8-12)21-16(19)18-14-5-3-4-6-15(14)20-2/h3-11H,1-2H3,(H,18,19)
InChIKeyHOPIPQZULWONOB-UHFFFAOYSA-N
MW305.76 g/mol
LogP4.66
Rot. Bonds4

About 1-(4-chlorophenyl)ethyl N-(2-methoxyphenyl)carbamate

1-(4-chlorophenyl)ethyl N-(2-methoxyphenyl)carbamate (PubChem CID 4885255) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)ethyl N-(2-methoxyphenyl)carbamate.

Molecular Properties

Compound Name1-(4-chlorophenyl)ethyl N-(2-methoxyphenyl)carbamate
PubChem CID4885255
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name1-(4-chlorophenyl)ethyl N-(2-methoxyphenyl)carbamate
SMILESCOc1ccccc1NC(=O)OC(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO3/c1-11(12-7-9-13(17)10-8-12)21-16(19)18-14-5-3-4-6-15(14)20-2/h3-11H,1-2H3,(H,18,19)
InChIKeyHOPIPQZULWONOB-UHFFFAOYSA-N
XLogP4.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)ethyl N-(2-methoxyphenyl)carbamate?
The IUPAC name of 1-(4-chlorophenyl)ethyl N-(2-methoxyphenyl)carbamate (CID 4885255) is 1-(4-chlorophenyl)ethyl N-(2-methoxyphenyl)carbamate.
What is the SMILES notation for 1-(4-chlorophenyl)ethyl N-(2-methoxyphenyl)carbamate?
The canonical SMILES for 1-(4-chlorophenyl)ethyl N-(2-methoxyphenyl)carbamate is COc1ccccc1NC(=O)OC(C)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)ethyl N-(2-methoxyphenyl)carbamate?
The InChIKey is HOPIPQZULWONOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-11(12-7-9-13(17)10-8-12)21-16(19)18-14-5-3-4-6-15(14)20-2/h3-11H,1-2H3,(H,18,19).
What are the key properties of 1-(4-chlorophenyl)ethyl N-(2-methoxyphenyl)carbamate?
1-(4-chlorophenyl)ethyl N-(2-methoxyphenyl)carbamate has a molecular weight of 305.76 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)ethyl N-(2-methoxyphenyl)carbamate is sourced from PubChem (CID 4885255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).