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

C15H13Cl2NO2 — CID 580695

IUPAC(4-chlorophenyl) N-[2-(4-chlorophenyl)ethyl]carbamate
SMILESO=C(NCCc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NO2/c16-12-3-1-11(2-4-12)9-10-18-15(19)20-14-7-5-13(17)6-8-14/h1-8H,9-10H2,(H,18,19)
InChIKeyHZQNJBNTZSUAHC-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.32
Rot. Bonds4

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

(4-chlorophenyl) N-[2-(4-chlorophenyl)ethyl]carbamate (PubChem CID 580695) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is (4-chlorophenyl) N-[2-(4-chlorophenyl)ethyl]carbamate.

Molecular Properties

Compound Name(4-chlorophenyl) N-[2-(4-chlorophenyl)ethyl]carbamate
PubChem CID580695
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name(4-chlorophenyl) N-[2-(4-chlorophenyl)ethyl]carbamate
SMILESO=C(NCCc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NO2/c16-12-3-1-11(2-4-12)9-10-18-15(19)20-14-7-5-13(17)6-8-14/h1-8H,9-10H2,(H,18,19)
InChIKeyHZQNJBNTZSUAHC-UHFFFAOYSA-N
XLogP4.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) N-[2-(4-chlorophenyl)ethyl]carbamate?
The IUPAC name of (4-chlorophenyl) N-[2-(4-chlorophenyl)ethyl]carbamate (CID 580695) is (4-chlorophenyl) N-[2-(4-chlorophenyl)ethyl]carbamate.
What is the SMILES notation for (4-chlorophenyl) N-[2-(4-chlorophenyl)ethyl]carbamate?
The canonical SMILES for (4-chlorophenyl) N-[2-(4-chlorophenyl)ethyl]carbamate is O=C(NCCc1ccc(Cl)cc1)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl) N-[2-(4-chlorophenyl)ethyl]carbamate?
The InChIKey is HZQNJBNTZSUAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c16-12-3-1-11(2-4-12)9-10-18-15(19)20-14-7-5-13(17)6-8-14/h1-8H,9-10H2,(H,18,19).
What are the key properties of (4-chlorophenyl) N-[2-(4-chlorophenyl)ethyl]carbamate?
(4-chlorophenyl) N-[2-(4-chlorophenyl)ethyl]carbamate has a molecular weight of 310.18 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) N-[2-(4-chlorophenyl)ethyl]carbamate is sourced from PubChem (CID 580695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).