2-chloro-N-[(2-fluorophenyl)methylideneamino]-4-nitrobenzamide

C14H9ClFN3O3 — CID 4520200

IUPAC2-chloro-N-[(2-fluorophenyl)methylideneamino]-4-nitrobenzamide
SMILESO=C(NN=Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H9ClFN3O3/c15-12-7-10(19(21)22)5-6-11(12)14(20)18-17-8-9-3-1-2-4-13(9)16/h1-8H,(H,18,20)
InChIKeyYBPRNMLVNHXVKO-UHFFFAOYSA-N
MW321.70 g/mol
LogP3.15
Rot. Bonds4

About 2-chloro-N-[(2-fluorophenyl)methylideneamino]-4-nitrobenzamide

2-chloro-N-[(2-fluorophenyl)methylideneamino]-4-nitrobenzamide (PubChem CID 4520200) has the molecular formula C14H9ClFN3O3 and a molecular weight of 321.70 g/mol. Its IUPAC name is 2-chloro-N-[(2-fluorophenyl)methylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(2-fluorophenyl)methylideneamino]-4-nitrobenzamide
PubChem CID4520200
Molecular FormulaC14H9ClFN3O3
Molecular Weight321.70 g/mol
Exact Mass321.03
IUPAC Name2-chloro-N-[(2-fluorophenyl)methylideneamino]-4-nitrobenzamide
SMILESO=C(NN=Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H9ClFN3O3/c15-12-7-10(19(21)22)5-6-11(12)14(20)18-17-8-9-3-1-2-4-13(9)16/h1-8H,(H,18,20)
InChIKeyYBPRNMLVNHXVKO-UHFFFAOYSA-N
XLogP3.15
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.70
LogP ≤ 53.15
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 2-chloro-N-[(2-fluorophenyl)methylideneamino]-4-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-chloro-N-[(E)-naphthalen-1-ylmethylideneamino]-4-nitrobenzamide
CID 5334573
2,4-dichloro-N-[(2-chloro-5-nitrophenyl)methylideneamino]benzamide
CID 4507805
2,4-dichloro-N-[(2-nitrophenyl)methylideneamino]benzamide
CID 774246
2-chloro-4-nitro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 871807
N-[(Z)-(2-fluorophenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 6279718
4-chloro-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5405746
2-chloro-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide
CID 4585295
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide
CID 7290572
2-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzamide
CID 5413434
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
CID 94847766
2-chloro-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-nitrobenzamide
CID 6896329

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-fluorophenyl)methylideneamino]-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-[(2-fluorophenyl)methylideneamino]-4-nitrobenzamide (CID 4520200) is 2-chloro-N-[(2-fluorophenyl)methylideneamino]-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[(2-fluorophenyl)methylideneamino]-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[(2-fluorophenyl)methylideneamino]-4-nitrobenzamide is O=C(NN=Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-N-[(2-fluorophenyl)methylideneamino]-4-nitrobenzamide?
The InChIKey is YBPRNMLVNHXVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O3/c15-12-7-10(19(21)22)5-6-11(12)14(20)18-17-8-9-3-1-2-4-13(9)16/h1-8H,(H,18,20).
What are the key properties of 2-chloro-N-[(2-fluorophenyl)methylideneamino]-4-nitrobenzamide?
2-chloro-N-[(2-fluorophenyl)methylideneamino]-4-nitrobenzamide has a molecular weight of 321.70 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-fluorophenyl)methylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 4520200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).