2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(2-methylpropyl)acetamide

C13H17BrN2O2 — CID 7702191

IUPAC2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CO/N=C\c1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O2/c1-10(2)7-15-13(17)9-18-16-8-11-3-5-12(14)6-4-11/h3-6,8,10H,7,9H2,1-2H3,(H,15,17)/b16-8-
InChIKeyDQDRYFVDJRSBDJ-PXNMLYILSA-N
MW313.19 g/mol
LogP2.57
Rot. Bonds6

About 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(2-methylpropyl)acetamide

2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(2-methylpropyl)acetamide (PubChem CID 7702191) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(2-methylpropyl)acetamide
PubChem CID7702191
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CO/N=C\c1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O2/c1-10(2)7-15-13(17)9-18-16-8-11-3-5-12(14)6-4-11/h3-6,8,10H,7,9H2,1-2H3,(H,15,17)/b16-8-
InChIKeyDQDRYFVDJRSBDJ-PXNMLYILSA-N
XLogP2.57
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.57
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

2-[(E)-(4-bromophenyl)methylideneamino]oxyacetohydrazide
CID 23004809
methyl 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetate
CID 23004808
2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide
CID 7702022
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2-methylpropyl)acetamide
CID 7704045
N-(4-bromo-2-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705663
N-(4-bromophenyl)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 7668804
2-[(Z)-benzylideneamino]oxy-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide
CID 7644254
N-(3-bromophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705224
2-(4-bromophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771067
2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 3989542
[2-(2-methylpropylamino)-2-oxoethyl] (E)-3-(4-methylphenyl)prop-2-enoate
CID 7187398
2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(5-chloro-2-cyanophenyl)acetamide
CID 7702033

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(2-methylpropyl)acetamide (CID 7702191) is 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CO/N=C\c1ccc(Br)cc1.
What is the InChIKey of 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(2-methylpropyl)acetamide?
The InChIKey is DQDRYFVDJRSBDJ-PXNMLYILSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-10(2)7-15-13(17)9-18-16-8-11-3-5-12(14)6-4-11/h3-6,8,10H,7,9H2,1-2H3,(H,15,17)/b16-8-.
What are the key properties of 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(2-methylpropyl)acetamide?
2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(2-methylpropyl)acetamide has a molecular weight of 313.19 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 7702191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).