(3,5-dichlorophenyl) N,N-bis(3,5-dichlorophenyl)carbamate

C19H9Cl6NO2 — CID 54435350

IUPAC(3,5-dichlorophenyl) N,N-bis(3,5-dichlorophenyl)carbamate
SMILESO=C(Oc1cc(Cl)cc(Cl)c1)N(c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H9Cl6NO2/c20-10-1-11(21)5-16(4-10)26(17-6-12(22)2-13(23)7-17)19(27)28-18-8-14(24)3-15(25)9-18/h1-9H
InChIKeyWKILXWHCPLTNTG-UHFFFAOYSA-N
MW496.00 g/mol
LogP8.94
Rot. Bonds3

About (3,5-dichlorophenyl) N,N-bis(3,5-dichlorophenyl)carbamate

(3,5-dichlorophenyl) N,N-bis(3,5-dichlorophenyl)carbamate (PubChem CID 54435350) has the molecular formula C19H9Cl6NO2 and a molecular weight of 496.00 g/mol. Its IUPAC name is (3,5-dichlorophenyl) N,N-bis(3,5-dichlorophenyl)carbamate.

Molecular Properties

Compound Name(3,5-dichlorophenyl) N,N-bis(3,5-dichlorophenyl)carbamate
PubChem CID54435350
Molecular FormulaC19H9Cl6NO2
Molecular Weight496.00 g/mol
Exact Mass492.88
IUPAC Name(3,5-dichlorophenyl) N,N-bis(3,5-dichlorophenyl)carbamate
SMILESO=C(Oc1cc(Cl)cc(Cl)c1)N(c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H9Cl6NO2/c20-10-1-11(21)5-16(4-10)26(17-6-12(22)2-13(23)7-17)19(27)28-18-8-14(24)3-15(25)9-18/h1-9H
InChIKeyWKILXWHCPLTNTG-UHFFFAOYSA-N
XLogP8.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.00
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl) N,N-bis(3,5-dichlorophenyl)carbamate?
The IUPAC name of (3,5-dichlorophenyl) N,N-bis(3,5-dichlorophenyl)carbamate (CID 54435350) is (3,5-dichlorophenyl) N,N-bis(3,5-dichlorophenyl)carbamate.
What is the SMILES notation for (3,5-dichlorophenyl) N,N-bis(3,5-dichlorophenyl)carbamate?
The canonical SMILES for (3,5-dichlorophenyl) N,N-bis(3,5-dichlorophenyl)carbamate is O=C(Oc1cc(Cl)cc(Cl)c1)N(c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (3,5-dichlorophenyl) N,N-bis(3,5-dichlorophenyl)carbamate?
The InChIKey is WKILXWHCPLTNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9Cl6NO2/c20-10-1-11(21)5-16(4-10)26(17-6-12(22)2-13(23)7-17)19(27)28-18-8-14(24)3-15(25)9-18/h1-9H.
What are the key properties of (3,5-dichlorophenyl) N,N-bis(3,5-dichlorophenyl)carbamate?
(3,5-dichlorophenyl) N,N-bis(3,5-dichlorophenyl)carbamate has a molecular weight of 496.00 g/mol, XLogP of 8.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl) N,N-bis(3,5-dichlorophenyl)carbamate is sourced from PubChem (CID 54435350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).