N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-nitroacetamide

C10H10BrN3O3 — CID 51342256

IUPACN-[(E)-1-(4-bromophenyl)ethylideneamino]-2-nitroacetamide
SMILESC/C(=N\NC(=O)C[N+](=O)[O-])c1ccc(Br)cc1
InChIInChI=1S/C10H10BrN3O3/c1-7(8-2-4-9(11)5-3-8)12-13-10(15)6-14(16)17/h2-5H,6H2,1H3,(H,13,15)/b12-7+
InChIKeyXOGAFSSCMAQDCJ-KPKJPENVSA-N
MW300.11 g/mol
LogP1.57
Rot. Bonds4

About N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-nitroacetamide

N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-nitroacetamide (PubChem CID 51342256) has the molecular formula C10H10BrN3O3 and a molecular weight of 300.11 g/mol. Its IUPAC name is N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-nitroacetamide.

Molecular Properties

Compound NameN-[(E)-1-(4-bromophenyl)ethylideneamino]-2-nitroacetamide
PubChem CID51342256
Molecular FormulaC10H10BrN3O3
Molecular Weight300.11 g/mol
Exact Mass298.99
IUPAC NameN-[(E)-1-(4-bromophenyl)ethylideneamino]-2-nitroacetamide
SMILESC/C(=N\NC(=O)C[N+](=O)[O-])c1ccc(Br)cc1
InChIInChI=1S/C10H10BrN3O3/c1-7(8-2-4-9(11)5-3-8)12-13-10(15)6-14(16)17/h2-5H,6H2,1H3,(H,13,15)/b12-7+
InChIKeyXOGAFSSCMAQDCJ-KPKJPENVSA-N
XLogP1.57
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide
CID 4582452
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-2-(2,4-dinitrophenyl)acetamide
CID 6053942
N-[1-(4-bromophenyl)ethylideneamino]-2-phenylacetamide
CID 780756
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide
CID 92652489
N-[1-(4-bromophenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide
CID 3461885
2-(4-bromophenyl)-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]acetamide
CID 27524668
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 6132667
N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-methylanilino)acetamide
CID 5457542
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-nitrobenzamide
CID 5448440
N-[1-(4-bromophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 4538116
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 6265756
N,N'-bis[1-(4-nitrophenyl)ethylideneamino]nonanediamide
CID 4631339

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-nitroacetamide?
The IUPAC name of N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-nitroacetamide (CID 51342256) is N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-nitroacetamide.
What is the SMILES notation for N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-nitroacetamide?
The canonical SMILES for N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-nitroacetamide is C/C(=N\NC(=O)C[N+](=O)[O-])c1ccc(Br)cc1.
What is the InChIKey of N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-nitroacetamide?
The InChIKey is XOGAFSSCMAQDCJ-KPKJPENVSA-N. The full InChI is InChI=1S/C10H10BrN3O3/c1-7(8-2-4-9(11)5-3-8)12-13-10(15)6-14(16)17/h2-5H,6H2,1H3,(H,13,15)/b12-7+.
What are the key properties of N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-nitroacetamide?
N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-nitroacetamide has a molecular weight of 300.11 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-nitroacetamide is sourced from PubChem (CID 51342256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).