(4-nitrophenyl) N-(2,6-difluorobenzoyl)carbamate

C14H8F2N2O5 — CID 57286081

IUPAC(4-nitrophenyl) N-(2,6-difluorobenzoyl)carbamate
SMILESO=C(NC(=O)c1c(F)cccc1F)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H8F2N2O5/c15-10-2-1-3-11(16)12(10)13(19)17-14(20)23-9-6-4-8(5-7-9)18(21)22/h1-7H,(H,17,19,20)
InChIKeyDNXWOLXAZWJJSM-UHFFFAOYSA-N
MW322.22 g/mol
LogP2.80
Rot. Bonds3

About (4-nitrophenyl) N-(2,6-difluorobenzoyl)carbamate

(4-nitrophenyl) N-(2,6-difluorobenzoyl)carbamate (PubChem CID 57286081) has the molecular formula C14H8F2N2O5 and a molecular weight of 322.22 g/mol. Its IUPAC name is (4-nitrophenyl) N-(2,6-difluorobenzoyl)carbamate.

Molecular Properties

Compound Name(4-nitrophenyl) N-(2,6-difluorobenzoyl)carbamate
PubChem CID57286081
Molecular FormulaC14H8F2N2O5
Molecular Weight322.22 g/mol
Exact Mass322.04
IUPAC Name(4-nitrophenyl) N-(2,6-difluorobenzoyl)carbamate
SMILESO=C(NC(=O)c1c(F)cccc1F)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H8F2N2O5/c15-10-2-1-3-11(16)12(10)13(19)17-14(20)23-9-6-4-8(5-7-9)18(21)22/h1-7H,(H,17,19,20)
InChIKeyDNXWOLXAZWJJSM-UHFFFAOYSA-N
XLogP2.80
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) N-(2,6-difluorobenzoyl)carbamate?
The IUPAC name of (4-nitrophenyl) N-(2,6-difluorobenzoyl)carbamate (CID 57286081) is (4-nitrophenyl) N-(2,6-difluorobenzoyl)carbamate.
What is the SMILES notation for (4-nitrophenyl) N-(2,6-difluorobenzoyl)carbamate?
The canonical SMILES for (4-nitrophenyl) N-(2,6-difluorobenzoyl)carbamate is O=C(NC(=O)c1c(F)cccc1F)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl) N-(2,6-difluorobenzoyl)carbamate?
The InChIKey is DNXWOLXAZWJJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O5/c15-10-2-1-3-11(16)12(10)13(19)17-14(20)23-9-6-4-8(5-7-9)18(21)22/h1-7H,(H,17,19,20).
What are the key properties of (4-nitrophenyl) N-(2,6-difluorobenzoyl)carbamate?
(4-nitrophenyl) N-(2,6-difluorobenzoyl)carbamate has a molecular weight of 322.22 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) N-(2,6-difluorobenzoyl)carbamate is sourced from PubChem (CID 57286081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).