N-[2-bromo-1-[(4-nitrophenyl)methoxy]ethyl]formamide

C10H11BrN2O4 — CID 88674721

IUPACN-[2-bromo-1-[(4-nitrophenyl)methoxy]ethyl]formamide
SMILESO=CNC(CBr)OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H11BrN2O4/c11-5-10(12-7-14)17-6-8-1-3-9(4-2-8)13(15)16/h1-4,7,10H,5-6H2,(H,12,14)
InChIKeyCUVOTUPUDIOHIS-UHFFFAOYSA-N
MW303.11 g/mol
LogP1.58
Rot. Bonds7

About N-[2-bromo-1-[(4-nitrophenyl)methoxy]ethyl]formamide

N-[2-bromo-1-[(4-nitrophenyl)methoxy]ethyl]formamide (PubChem CID 88674721) has the molecular formula C10H11BrN2O4 and a molecular weight of 303.11 g/mol. Its IUPAC name is N-[2-bromo-1-[(4-nitrophenyl)methoxy]ethyl]formamide.

Molecular Properties

Compound NameN-[2-bromo-1-[(4-nitrophenyl)methoxy]ethyl]formamide
PubChem CID88674721
Molecular FormulaC10H11BrN2O4
Molecular Weight303.11 g/mol
Exact Mass301.99
IUPAC NameN-[2-bromo-1-[(4-nitrophenyl)methoxy]ethyl]formamide
SMILESO=CNC(CBr)OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H11BrN2O4/c11-5-10(12-7-14)17-6-8-1-3-9(4-2-8)13(15)16/h1-4,7,10H,5-6H2,(H,12,14)
InChIKeyCUVOTUPUDIOHIS-UHFFFAOYSA-N
XLogP1.58
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(ethoxymethyl)-4-nitrobenzene;N-methylmethanamine
CID 70210038
4-[(4-nitrophenyl)methoxy]benzaldehyde
CID 735836
N-[4-[(4-nitrophenyl)methoxy]phenyl]formamide
CID 134324420
2-[2-[(4-nitrophenyl)methoxy]ethoxy]ethanol
CID 15221740
N,N-diethylethanamine;(4-nitrophenyl)methyl 2-oxoacetate;hydrate
CID 88663538
1-nitro-4-(phosphorosooxymethyl)benzene
CID 58371231
N-[2-(4-nitrophenyl)ethyl]formamide
CID 64992334
1-nitro-4-[[(E)-3-phenylprop-2-enoxy]methyl]benzene
CID 10858524
2-[(4-nitrophenyl)methoxy]-2-phenylethanol
CID 70261241
bis[(4-nitrophenyl)methyl] (2R,3R)-2,3-dihydroxybutanedioate
CID 10432242
1-chloro-3-[(4-nitrophenyl)methoxy]propan-2-one
CID 21323877
(2R)-2-[(4-nitrophenyl)methoxymethyl]oxirane
CID 129386146

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-1-[(4-nitrophenyl)methoxy]ethyl]formamide?
The IUPAC name of N-[2-bromo-1-[(4-nitrophenyl)methoxy]ethyl]formamide (CID 88674721) is N-[2-bromo-1-[(4-nitrophenyl)methoxy]ethyl]formamide.
What is the SMILES notation for N-[2-bromo-1-[(4-nitrophenyl)methoxy]ethyl]formamide?
The canonical SMILES for N-[2-bromo-1-[(4-nitrophenyl)methoxy]ethyl]formamide is O=CNC(CBr)OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-bromo-1-[(4-nitrophenyl)methoxy]ethyl]formamide?
The InChIKey is CUVOTUPUDIOHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O4/c11-5-10(12-7-14)17-6-8-1-3-9(4-2-8)13(15)16/h1-4,7,10H,5-6H2,(H,12,14).
What are the key properties of N-[2-bromo-1-[(4-nitrophenyl)methoxy]ethyl]formamide?
N-[2-bromo-1-[(4-nitrophenyl)methoxy]ethyl]formamide has a molecular weight of 303.11 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-1-[(4-nitrophenyl)methoxy]ethyl]formamide is sourced from PubChem (CID 88674721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).