N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-2-methyl-3-nitrobenzamide

C15H11BrFN3O3 — CID 6047566

IUPACN-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-2-methyl-3-nitrobenzamide
SMILESCc1c(C(=O)N/N=C\c2ccc(F)c(Br)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H11BrFN3O3/c1-9-11(3-2-4-14(9)20(22)23)15(21)19-18-8-10-5-6-13(17)12(16)7-10/h2-8H,1H3,(H,19,21)/b18-8-
InChIKeyASQHDOXQQFXBMG-LSCVHKIXSA-N
MW380.17 g/mol
LogP3.57
Rot. Bonds4

About N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-2-methyl-3-nitrobenzamide

N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-2-methyl-3-nitrobenzamide (PubChem CID 6047566) has the molecular formula C15H11BrFN3O3 and a molecular weight of 380.17 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-2-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-2-methyl-3-nitrobenzamide
PubChem CID6047566
Molecular FormulaC15H11BrFN3O3
Molecular Weight380.17 g/mol
Exact Mass379.00
IUPAC NameN-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-2-methyl-3-nitrobenzamide
SMILESCc1c(C(=O)N/N=C\c2ccc(F)c(Br)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H11BrFN3O3/c1-9-11(3-2-4-14(9)20(22)23)15(21)19-18-8-10-5-6-13(17)12(16)7-10/h2-8H,1H3,(H,19,21)/b18-8-
InChIKeyASQHDOXQQFXBMG-LSCVHKIXSA-N
XLogP3.57
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.17
LogP ≤ 53.57
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'}

Analyze N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-2-methyl-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide
CID 7832175
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-nitrobenzamide
CID 137021200
N-[(3-bromo-4-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 872797
2-nitro-N-[(E)-[4-[(E)-[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 6870006
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide
CID 6298230
methyl N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]carbamate
CID 6174064
2-bromo-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide
CID 9016525
N-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]-3-methylbenzamide
CID 126221857
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 19165666
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-methyl-3-nitrobenzamide
CID 94847959
2-fluoro-N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide
CID 135583258
N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-hydroxybenzamide
CID 126052608

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-2-methyl-3-nitrobenzamide?
The IUPAC name of N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-2-methyl-3-nitrobenzamide (CID 6047566) is N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-2-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-2-methyl-3-nitrobenzamide?
The canonical SMILES for N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-2-methyl-3-nitrobenzamide is Cc1c(C(=O)N/N=C\c2ccc(F)c(Br)c2)cccc1[N+](=O)[O-].
What is the InChIKey of N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-2-methyl-3-nitrobenzamide?
The InChIKey is ASQHDOXQQFXBMG-LSCVHKIXSA-N. The full InChI is InChI=1S/C15H11BrFN3O3/c1-9-11(3-2-4-14(9)20(22)23)15(21)19-18-8-10-5-6-13(17)12(16)7-10/h2-8H,1H3,(H,19,21)/b18-8-.
What are the key properties of N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-2-methyl-3-nitrobenzamide?
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-2-methyl-3-nitrobenzamide has a molecular weight of 380.17 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-2-methyl-3-nitrobenzamide is sourced from PubChem (CID 6047566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).