methyl N-[(5-bromo-2-fluorophenyl)methylideneamino]carbamate

C9H8BrFN2O2 — CID 3569932

IUPACmethyl N-[(5-bromo-2-fluorophenyl)methylideneamino]carbamate
SMILESCOC(=O)NN=Cc1cc(Br)ccc1F
InChIInChI=1S/C9H8BrFN2O2/c1-15-9(14)13-12-5-6-4-7(10)2-3-8(6)11/h2-5H,1H3,(H,13,14)
InChIKeyWFHQGEDMZFJHJP-UHFFFAOYSA-N
MW275.08 g/mol
LogP2.28
Rot. Bonds2

About methyl N-[(5-bromo-2-fluorophenyl)methylideneamino]carbamate

methyl N-[(5-bromo-2-fluorophenyl)methylideneamino]carbamate (PubChem CID 3569932) has the molecular formula C9H8BrFN2O2 and a molecular weight of 275.08 g/mol. Its IUPAC name is methyl N-[(5-bromo-2-fluorophenyl)methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(5-bromo-2-fluorophenyl)methylideneamino]carbamate
PubChem CID3569932
Molecular FormulaC9H8BrFN2O2
Molecular Weight275.08 g/mol
Exact Mass273.98
IUPAC Namemethyl N-[(5-bromo-2-fluorophenyl)methylideneamino]carbamate
SMILESCOC(=O)NN=Cc1cc(Br)ccc1F
InChIInChI=1S/C9H8BrFN2O2/c1-15-9(14)13-12-5-6-4-7(10)2-3-8(6)11/h2-5H,1H3,(H,13,14)
InChIKeyWFHQGEDMZFJHJP-UHFFFAOYSA-N
XLogP2.28
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.08
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(5-bromo-2-fluorophenyl)methylideneamino]carbamate
CID 4564535
N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 42995419
methyl N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]carbamate
CID 6174064
N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5335710
tert-butyl N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]carbamate
CID 6909993
methyl N-[(E)-(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]carbamate
CID 135613521
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 6009117
N-[(5-bromo-2-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 879016
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463662
N-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 9460639
methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate
CID 5417418
1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 136870132

Frequently Asked Questions

What is the IUPAC name of methyl N-[(5-bromo-2-fluorophenyl)methylideneamino]carbamate?
The IUPAC name of methyl N-[(5-bromo-2-fluorophenyl)methylideneamino]carbamate (CID 3569932) is methyl N-[(5-bromo-2-fluorophenyl)methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(5-bromo-2-fluorophenyl)methylideneamino]carbamate?
The canonical SMILES for methyl N-[(5-bromo-2-fluorophenyl)methylideneamino]carbamate is COC(=O)NN=Cc1cc(Br)ccc1F.
What is the InChIKey of methyl N-[(5-bromo-2-fluorophenyl)methylideneamino]carbamate?
The InChIKey is WFHQGEDMZFJHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN2O2/c1-15-9(14)13-12-5-6-4-7(10)2-3-8(6)11/h2-5H,1H3,(H,13,14).
What are the key properties of methyl N-[(5-bromo-2-fluorophenyl)methylideneamino]carbamate?
methyl N-[(5-bromo-2-fluorophenyl)methylideneamino]carbamate has a molecular weight of 275.08 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(5-bromo-2-fluorophenyl)methylideneamino]carbamate is sourced from PubChem (CID 3569932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).