N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide

C15H12BrN3O4 — CID 7038077

IUPACN-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1cccc(Br)c1
InChIInChI=1S/C15H12BrN3O4/c16-12-5-3-4-11(8-12)9-17-18-15(20)10-23-14-7-2-1-6-13(14)19(21)22/h1-9H,10H2,(H,18,20)/b17-9-
InChIKeyQEILQQJVJKQGMY-MFOYZWKCSA-N
MW378.18 g/mol
LogP2.89
Rot. Bonds6

About N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide

N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide (PubChem CID 7038077) has the molecular formula C15H12BrN3O4 and a molecular weight of 378.18 g/mol. Its IUPAC name is N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
PubChem CID7038077
Molecular FormulaC15H12BrN3O4
Molecular Weight378.18 g/mol
Exact Mass377.00
IUPAC NameN-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1cccc(Br)c1
InChIInChI=1S/C15H12BrN3O4/c16-12-5-3-4-11(8-12)9-17-18-15(20)10-23-14-7-2-1-6-13(14)19(21)22/h1-9H,10H2,(H,18,20)/b17-9-
InChIKeyQEILQQJVJKQGMY-MFOYZWKCSA-N
XLogP2.89
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.18
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

[3-[[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 5129219
2-(4-bromo-2-nitrophenoxy)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide
CID 41270248
N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9317033
N-[(3-bromophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4547272
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136773662
2-(2-nitrophenoxy)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 5457712
N-[(4-chloro-3-methoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1138089
N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 4084520
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9467225
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136757938
[4-bromo-2-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 6065706
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7332460

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide (CID 7038077) is N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide is O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1cccc(Br)c1.
What is the InChIKey of N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The InChIKey is QEILQQJVJKQGMY-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H12BrN3O4/c16-12-5-3-4-11(8-12)9-17-18-15(20)10-23-14-7-2-1-6-13(14)19(21)22/h1-9H,10H2,(H,18,20)/b17-9-.
What are the key properties of N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide has a molecular weight of 378.18 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 7038077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).