(2,4-difluorophenyl) N-(2,6-dichlorobenzoyl)carbamate

C14H7Cl2F2NO3 — CID 2798657

IUPAC(2,4-difluorophenyl) N-(2,6-dichlorobenzoyl)carbamate
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Oc1ccc(F)cc1F
InChIInChI=1S/C14H7Cl2F2NO3/c15-8-2-1-3-9(16)12(8)13(20)19-14(21)22-11-5-4-7(17)6-10(11)18/h1-6H,(H,19,20,21)
InChIKeyBGQSZDNVOAWGFQ-UHFFFAOYSA-N
MW346.12 g/mol
LogP4.20
Rot. Bonds2

About (2,4-difluorophenyl) N-(2,6-dichlorobenzoyl)carbamate

(2,4-difluorophenyl) N-(2,6-dichlorobenzoyl)carbamate (PubChem CID 2798657) has the molecular formula C14H7Cl2F2NO3 and a molecular weight of 346.12 g/mol. Its IUPAC name is (2,4-difluorophenyl) N-(2,6-dichlorobenzoyl)carbamate.

Molecular Properties

Compound Name(2,4-difluorophenyl) N-(2,6-dichlorobenzoyl)carbamate
PubChem CID2798657
Molecular FormulaC14H7Cl2F2NO3
Molecular Weight346.12 g/mol
Exact Mass344.98
IUPAC Name(2,4-difluorophenyl) N-(2,6-dichlorobenzoyl)carbamate
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Oc1ccc(F)cc1F
InChIInChI=1S/C14H7Cl2F2NO3/c15-8-2-1-3-9(16)12(8)13(20)19-14(21)22-11-5-4-7(17)6-10(11)18/h1-6H,(H,19,20,21)
InChIKeyBGQSZDNVOAWGFQ-UHFFFAOYSA-N
XLogP4.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.12
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl) N-(2,6-dichlorobenzoyl)carbamate?
The IUPAC name of (2,4-difluorophenyl) N-(2,6-dichlorobenzoyl)carbamate (CID 2798657) is (2,4-difluorophenyl) N-(2,6-dichlorobenzoyl)carbamate.
What is the SMILES notation for (2,4-difluorophenyl) N-(2,6-dichlorobenzoyl)carbamate?
The canonical SMILES for (2,4-difluorophenyl) N-(2,6-dichlorobenzoyl)carbamate is O=C(NC(=O)c1c(Cl)cccc1Cl)Oc1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl) N-(2,6-dichlorobenzoyl)carbamate?
The InChIKey is BGQSZDNVOAWGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F2NO3/c15-8-2-1-3-9(16)12(8)13(20)19-14(21)22-11-5-4-7(17)6-10(11)18/h1-6H,(H,19,20,21).
What are the key properties of (2,4-difluorophenyl) N-(2,6-dichlorobenzoyl)carbamate?
(2,4-difluorophenyl) N-(2,6-dichlorobenzoyl)carbamate has a molecular weight of 346.12 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl) N-(2,6-dichlorobenzoyl)carbamate is sourced from PubChem (CID 2798657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).