3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide

C14H10ClFN2O — CID 771424

IUPAC3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C14H10ClFN2O/c15-12-3-1-2-11(8-12)14(19)18-17-9-10-4-6-13(16)7-5-10/h1-9H,(H,18,19)
InChIKeyCZFAGSRIGPJNDX-UHFFFAOYSA-N
MW276.70 g/mol
LogP3.24
Rot. Bonds3

About 3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide

3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide (PubChem CID 771424) has the molecular formula C14H10ClFN2O and a molecular weight of 276.70 g/mol. Its IUPAC name is 3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide
PubChem CID771424
Molecular FormulaC14H10ClFN2O
Molecular Weight276.70 g/mol
Exact Mass276.05
IUPAC Name3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C14H10ClFN2O/c15-12-3-1-2-11(8-12)14(19)18-17-9-10-4-6-13(16)7-5-10/h1-9H,(H,18,19)
InChIKeyCZFAGSRIGPJNDX-UHFFFAOYSA-N
XLogP3.24
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide 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

N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 9174979
3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 774312
3-chloro-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide
CID 5332427
3-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 5456482
3-chloro-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5407450
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
3-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 94847752
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771273
4-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]benzoic acid
CID 5391553

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide (CID 771424) is 3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide is O=C(NN=Cc1ccc(F)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide?
The InChIKey is CZFAGSRIGPJNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O/c15-12-3-1-2-11(8-12)14(19)18-17-9-10-4-6-13(16)7-5-10/h1-9H,(H,18,19).
What are the key properties of 3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide?
3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide has a molecular weight of 276.70 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 771424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).