(4-chlorophenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate

C16H16ClNO3 — CID 578390

IUPAC(4-chlorophenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate
SMILESCOc1ccc(CCNC(=O)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO3/c1-20-14-6-2-12(3-7-14)10-11-18-16(19)21-15-8-4-13(17)5-9-15/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyMAWKCPHANLHLCW-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.68
Rot. Bonds5

About (4-chlorophenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate

(4-chlorophenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate (PubChem CID 578390) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is (4-chlorophenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Name(4-chlorophenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate
PubChem CID578390
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name(4-chlorophenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate
SMILESCOc1ccc(CCNC(=O)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO3/c1-20-14-6-2-12(3-7-14)10-11-18-16(19)21-15-8-4-13(17)5-9-15/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyMAWKCPHANLHLCW-UHFFFAOYSA-N
XLogP3.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate?
The IUPAC name of (4-chlorophenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate (CID 578390) is (4-chlorophenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate.
What is the SMILES notation for (4-chlorophenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate?
The canonical SMILES for (4-chlorophenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate is COc1ccc(CCNC(=O)Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-chlorophenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate?
The InChIKey is MAWKCPHANLHLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-20-14-6-2-12(3-7-14)10-11-18-16(19)21-15-8-4-13(17)5-9-15/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of (4-chlorophenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate?
(4-chlorophenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate has a molecular weight of 305.76 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 578390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).