(4-nitrophenyl) N-[(4-bromophenyl)methoxy]carbamate

C14H11BrN2O5 — CID 141294048

IUPAC(4-nitrophenyl) N-[(4-bromophenyl)methoxy]carbamate
SMILESO=C(NOCc1ccc(Br)cc1)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11BrN2O5/c15-11-3-1-10(2-4-11)9-21-16-14(18)22-13-7-5-12(6-8-13)17(19)20/h1-8H,9H2,(H,16,18)
InChIKeyUPXKBMTUUILGPU-UHFFFAOYSA-N
MW367.16 g/mol
LogP3.58
Rot. Bonds5

About (4-nitrophenyl) N-[(4-bromophenyl)methoxy]carbamate

(4-nitrophenyl) N-[(4-bromophenyl)methoxy]carbamate (PubChem CID 141294048) has the molecular formula C14H11BrN2O5 and a molecular weight of 367.16 g/mol. Its IUPAC name is (4-nitrophenyl) N-[(4-bromophenyl)methoxy]carbamate.

Molecular Properties

Compound Name(4-nitrophenyl) N-[(4-bromophenyl)methoxy]carbamate
PubChem CID141294048
Molecular FormulaC14H11BrN2O5
Molecular Weight367.16 g/mol
Exact Mass365.99
IUPAC Name(4-nitrophenyl) N-[(4-bromophenyl)methoxy]carbamate
SMILESO=C(NOCc1ccc(Br)cc1)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11BrN2O5/c15-11-3-1-10(2-4-11)9-21-16-14(18)22-13-7-5-12(6-8-13)17(19)20/h1-8H,9H2,(H,16,18)
InChIKeyUPXKBMTUUILGPU-UHFFFAOYSA-N
XLogP3.58
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.16
LogP ≤ 53.58
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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Related Compounds

(4-nitrophenyl) N-[[4-[[(4-nitrophenoxy)carbonylamino]methyl]phenyl]methyl]carbamate
CID 57126958
(4-nitrophenyl)methyl 4-[(4-bromophenoxy)methyl]benzoate
CID 126184969
2-(4-nitrophenoxy)-N-phenylmethoxyacetamide
CID 41248168
(4-nitrophenyl) N-[(4-iodophenyl)methyl]carbamate
CID 139535288
(4-nitrophenyl)methyl N-[(4-nitrophenyl)methyl]carbamate
CID 158564430
N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide
CID 94847972
[3-(4-nitrophenoxy)phenyl] 4-[(4-bromophenoxy)methyl]benzoate
CID 126183778
[2-(4-nitrophenoxy)-2-oxoethyl] 2-(4-nitrophenyl)acetate
CID 175037095
(4-nitrophenyl) N-(2,5-dioxopyrrol-1-yl)carbamate
CID 123583999
4-[(4-nitrophenyl)methoxy]benzamide
CID 7893395
[4-[(4-nitrophenoxy)carbonylamino]phenyl]methylcarbamic acid
CID 174223547
[4-[(4-nitrophenoxy)carbonyloxymethyl]phenyl] benzoate
CID 155140389

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) N-[(4-bromophenyl)methoxy]carbamate?
The IUPAC name of (4-nitrophenyl) N-[(4-bromophenyl)methoxy]carbamate (CID 141294048) is (4-nitrophenyl) N-[(4-bromophenyl)methoxy]carbamate.
What is the SMILES notation for (4-nitrophenyl) N-[(4-bromophenyl)methoxy]carbamate?
The canonical SMILES for (4-nitrophenyl) N-[(4-bromophenyl)methoxy]carbamate is O=C(NOCc1ccc(Br)cc1)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl) N-[(4-bromophenyl)methoxy]carbamate?
The InChIKey is UPXKBMTUUILGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O5/c15-11-3-1-10(2-4-11)9-21-16-14(18)22-13-7-5-12(6-8-13)17(19)20/h1-8H,9H2,(H,16,18).
What are the key properties of (4-nitrophenyl) N-[(4-bromophenyl)methoxy]carbamate?
(4-nitrophenyl) N-[(4-bromophenyl)methoxy]carbamate has a molecular weight of 367.16 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) N-[(4-bromophenyl)methoxy]carbamate is sourced from PubChem (CID 141294048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).