N-[(E)-(3-bromophenyl)methylideneamino]-3-fluorobenzamide

C14H10BrFN2O — CID 5332626

IUPACN-[(E)-(3-bromophenyl)methylideneamino]-3-fluorobenzamide
SMILESO=C(N/N=C/c1cccc(Br)c1)c1cccc(F)c1
InChIInChI=1S/C14H10BrFN2O/c15-12-5-1-3-10(7-12)9-17-18-14(19)11-4-2-6-13(16)8-11/h1-9H,(H,18,19)/b17-9+
InChIKeyYLFQEUMJGFWBKD-RQZCQDPDSA-N
MW321.15 g/mol
LogP3.35
Rot. Bonds3

About N-[(E)-(3-bromophenyl)methylideneamino]-3-fluorobenzamide

N-[(E)-(3-bromophenyl)methylideneamino]-3-fluorobenzamide (PubChem CID 5332626) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is N-[(E)-(3-bromophenyl)methylideneamino]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(E)-(3-bromophenyl)methylideneamino]-3-fluorobenzamide
PubChem CID5332626
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC NameN-[(E)-(3-bromophenyl)methylideneamino]-3-fluorobenzamide
SMILESO=C(N/N=C/c1cccc(Br)c1)c1cccc(F)c1
InChIInChI=1S/C14H10BrFN2O/c15-12-5-1-3-10(7-12)9-17-18-14(19)11-4-2-6-13(16)8-11/h1-9H,(H,18,19)/b17-9+
InChIKeyYLFQEUMJGFWBKD-RQZCQDPDSA-N
XLogP3.35
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 53.35
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 N-[(E)-(3-bromophenyl)methylideneamino]-3-fluorobenzamide 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-[(3-bromophenyl)methylideneamino]-3-hydroxybenzamide
CID 2695972
3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5412010
N-[(3-bromophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 171134385
N-[3-[[(3-bromophenyl)methylideneamino]carbamoyl]phenyl]-2-fluorobenzamide
CID 4913995
4-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]benzoic acid
CID 5391553
4-amino-N-[(E)-(3-bromophenyl)methylideneamino]benzamide
CID 42995119
N-[(Z)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3-fluorobenzamide
CID 126016581
3-fluoro-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 136828048
3-fluoro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 4031826
N-[(E)-(4-tert-butylphenyl)methylideneamino]-3-fluorobenzamide
CID 6895131
4-[(4-bromobenzoyl)amino]-N-[(E)-(3-bromophenyl)methylideneamino]benzamide
CID 19578867
3-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 6870510

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]-3-fluorobenzamide?
The IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]-3-fluorobenzamide (CID 5332626) is N-[(E)-(3-bromophenyl)methylideneamino]-3-fluorobenzamide.
What is the SMILES notation for N-[(E)-(3-bromophenyl)methylideneamino]-3-fluorobenzamide?
The canonical SMILES for N-[(E)-(3-bromophenyl)methylideneamino]-3-fluorobenzamide is O=C(N/N=C/c1cccc(Br)c1)c1cccc(F)c1.
What is the InChIKey of N-[(E)-(3-bromophenyl)methylideneamino]-3-fluorobenzamide?
The InChIKey is YLFQEUMJGFWBKD-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c15-12-5-1-3-10(7-12)9-17-18-14(19)11-4-2-6-13(16)8-11/h1-9H,(H,18,19)/b17-9+.
What are the key properties of N-[(E)-(3-bromophenyl)methylideneamino]-3-fluorobenzamide?
N-[(E)-(3-bromophenyl)methylideneamino]-3-fluorobenzamide has a molecular weight of 321.15 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromophenyl)methylideneamino]-3-fluorobenzamide is sourced from PubChem (CID 5332626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).