methyl N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]carbamate

C9H8BrFN2O2 — CID 6174064

IUPACmethyl N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C\c1ccc(F)c(Br)c1
InChIInChI=1S/C9H8BrFN2O2/c1-15-9(14)13-12-5-6-2-3-8(11)7(10)4-6/h2-5H,1H3,(H,13,14)/b12-5-
InChIKeyMKZQTDWNHURBKA-XGICHPGQSA-N
MW275.08 g/mol
LogP2.28
Rot. Bonds2

About methyl N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]carbamate

methyl N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]carbamate (PubChem CID 6174064) has the molecular formula C9H8BrFN2O2 and a molecular weight of 275.08 g/mol. Its IUPAC name is methyl N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]carbamate
PubChem CID6174064
Molecular FormulaC9H8BrFN2O2
Molecular Weight275.08 g/mol
Exact Mass273.98
IUPAC Namemethyl N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C\c1ccc(F)c(Br)c1
InChIInChI=1S/C9H8BrFN2O2/c1-15-9(14)13-12-5-6-2-3-8(11)7(10)4-6/h2-5H,1H3,(H,13,14)/b12-5-
InChIKeyMKZQTDWNHURBKA-XGICHPGQSA-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

N,N'-bis[(3-bromo-4-fluorophenyl)methylideneamino]propanediamide
CID 4625442
N'-[(3-bromo-4-fluorophenyl)methylideneamino]oxamide
CID 4081969
methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate
CID 5417418
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide
CID 6298230
methyl N-[(5-bromo-2-fluorophenyl)methylideneamino]carbamate
CID 3569932
2-bromo-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide
CID 7832175
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-ethoxybenzamide
CID 9214902
tert-butyl N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]carbamate
CID 9074914
N-[(3-bromo-4-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 872797
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316103
methyl N-[(3-chlorophenyl)methylideneamino]carbamate
CID 909415
methyl N-(naphthalen-2-ylmethylideneamino)carbamate
CID 909426

Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]carbamate?
The IUPAC name of methyl N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]carbamate (CID 6174064) is methyl N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]carbamate?
The canonical SMILES for methyl N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]carbamate is COC(=O)N/N=C\c1ccc(F)c(Br)c1.
What is the InChIKey of methyl N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]carbamate?
The InChIKey is MKZQTDWNHURBKA-XGICHPGQSA-N. The full InChI is InChI=1S/C9H8BrFN2O2/c1-15-9(14)13-12-5-6-2-3-8(11)7(10)4-6/h2-5H,1H3,(H,13,14)/b12-5-.
What are the key properties of methyl N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]carbamate?
methyl N-[(Z)-(3-bromo-4-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-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]carbamate is sourced from PubChem (CID 6174064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).