(2-chloro-4-fluorophenyl) N-(2,6-dichlorobenzoyl)carbamate

C14H7Cl3FNO3 — CID 2798665

IUPAC(2-chloro-4-fluorophenyl) N-(2,6-dichlorobenzoyl)carbamate
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Oc1ccc(F)cc1Cl
InChIInChI=1S/C14H7Cl3FNO3/c15-8-2-1-3-9(16)12(8)13(20)19-14(21)22-11-5-4-7(18)6-10(11)17/h1-6H,(H,19,20,21)
InChIKeyNTOPSTNKLRQHIM-UHFFFAOYSA-N
MW362.57 g/mol
LogP4.71
Rot. Bonds2

About (2-chloro-4-fluorophenyl) N-(2,6-dichlorobenzoyl)carbamate

(2-chloro-4-fluorophenyl) N-(2,6-dichlorobenzoyl)carbamate (PubChem CID 2798665) has the molecular formula C14H7Cl3FNO3 and a molecular weight of 362.57 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl) N-(2,6-dichlorobenzoyl)carbamate.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl) N-(2,6-dichlorobenzoyl)carbamate
PubChem CID2798665
Molecular FormulaC14H7Cl3FNO3
Molecular Weight362.57 g/mol
Exact Mass360.95
IUPAC Name(2-chloro-4-fluorophenyl) N-(2,6-dichlorobenzoyl)carbamate
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Oc1ccc(F)cc1Cl
InChIInChI=1S/C14H7Cl3FNO3/c15-8-2-1-3-9(16)12(8)13(20)19-14(21)22-11-5-4-7(18)6-10(11)17/h1-6H,(H,19,20,21)
InChIKeyNTOPSTNKLRQHIM-UHFFFAOYSA-N
XLogP4.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.57
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl) N-(2,6-dichlorobenzoyl)carbamate?
The IUPAC name of (2-chloro-4-fluorophenyl) N-(2,6-dichlorobenzoyl)carbamate (CID 2798665) is (2-chloro-4-fluorophenyl) N-(2,6-dichlorobenzoyl)carbamate.
What is the SMILES notation for (2-chloro-4-fluorophenyl) N-(2,6-dichlorobenzoyl)carbamate?
The canonical SMILES for (2-chloro-4-fluorophenyl) N-(2,6-dichlorobenzoyl)carbamate is O=C(NC(=O)c1c(Cl)cccc1Cl)Oc1ccc(F)cc1Cl.
What is the InChIKey of (2-chloro-4-fluorophenyl) N-(2,6-dichlorobenzoyl)carbamate?
The InChIKey is NTOPSTNKLRQHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3FNO3/c15-8-2-1-3-9(16)12(8)13(20)19-14(21)22-11-5-4-7(18)6-10(11)17/h1-6H,(H,19,20,21).
What are the key properties of (2-chloro-4-fluorophenyl) N-(2,6-dichlorobenzoyl)carbamate?
(2-chloro-4-fluorophenyl) N-(2,6-dichlorobenzoyl)carbamate has a molecular weight of 362.57 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl) N-(2,6-dichlorobenzoyl)carbamate is sourced from PubChem (CID 2798665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).