(4-nitrophenyl) N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]carbamate

C18H11FN4O7 — CID 59822966

IUPAC(4-nitrophenyl) N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]carbamate
SMILESO=C(Nc1cc(Oc2ccc([N+](=O)[O-])cc2F)ccn1)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H11FN4O7/c19-15-9-12(23(27)28)3-6-16(15)29-14-7-8-20-17(10-14)21-18(24)30-13-4-1-11(2-5-13)22(25)26/h1-10H,(H,20,21,24)
InChIKeyQUNYZLVZDYYHNJ-UHFFFAOYSA-N
MW414.31 g/mol
LogP4.44
Rot. Bonds6

About (4-nitrophenyl) N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]carbamate

(4-nitrophenyl) N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]carbamate (PubChem CID 59822966) has the molecular formula C18H11FN4O7 and a molecular weight of 414.31 g/mol. Its IUPAC name is (4-nitrophenyl) N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]carbamate.

Molecular Properties

Compound Name(4-nitrophenyl) N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]carbamate
PubChem CID59822966
Molecular FormulaC18H11FN4O7
Molecular Weight414.31 g/mol
Exact Mass414.06
IUPAC Name(4-nitrophenyl) N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]carbamate
SMILESO=C(Nc1cc(Oc2ccc([N+](=O)[O-])cc2F)ccn1)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H11FN4O7/c19-15-9-12(23(27)28)3-6-16(15)29-14-7-8-20-17(10-14)21-18(24)30-13-4-1-11(2-5-13)22(25)26/h1-10H,(H,20,21,24)
InChIKeyQUNYZLVZDYYHNJ-UHFFFAOYSA-N
XLogP4.44
TPSA146.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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Related Compounds

N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 86602173
N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 23153163
(4-nitrophenyl) N-pyridin-2-ylcarbamate
CID 10332773
tert-butyl N-[4-(2-chloro-4-nitrophenoxy)-2-pyridinyl]carbamate
CID 175583227
tert-butyl N-[4-(4-nitrophenoxy)-2-pyridinyl]carbamate;ethane
CID 123844996
1-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-3-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-1-methylurea
CID 23153320
2-methoxy-N-[4-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]acetamide
CID 70921732
methyl 5-(2-fluoro-4-nitrophenoxy)-2-nitrobenzoate
CID 133302543
N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-N-methylcyclopropanecarboxamide
CID 90020028
2-(2-fluoro-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 61038317
2,4-difluoro-1-(4-nitrophenoxy)benzene
CID 3015409
(4-nitrophenyl) N-(2,6-dichloropyrimidin-4-yl)carbamate
CID 155292903

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]carbamate?
The IUPAC name of (4-nitrophenyl) N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]carbamate (CID 59822966) is (4-nitrophenyl) N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]carbamate.
What is the SMILES notation for (4-nitrophenyl) N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]carbamate?
The canonical SMILES for (4-nitrophenyl) N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]carbamate is O=C(Nc1cc(Oc2ccc([N+](=O)[O-])cc2F)ccn1)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl) N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]carbamate?
The InChIKey is QUNYZLVZDYYHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN4O7/c19-15-9-12(23(27)28)3-6-16(15)29-14-7-8-20-17(10-14)21-18(24)30-13-4-1-11(2-5-13)22(25)26/h1-10H,(H,20,21,24).
What are the key properties of (4-nitrophenyl) N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]carbamate?
(4-nitrophenyl) N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]carbamate has a molecular weight of 414.31 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]carbamate is sourced from PubChem (CID 59822966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).