N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide

C16H15BrFN3O2 — CID 175426844

IUPACN-[(3-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide
SMILESCC(Nc1cccc(F)c1)C(=O)NN=Cc1cccc(Br)c1O
InChIInChI=1S/C16H15BrFN3O2/c1-10(20-13-6-3-5-12(18)8-13)16(23)21-19-9-11-4-2-7-14(17)15(11)22/h2-10,20,22H,1H3,(H,21,23)
InChIKeyCKFCTMBGUJZJLD-UHFFFAOYSA-N
MW380.22 g/mol
LogP3.24
Rot. Bonds5

About N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide

N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide (PubChem CID 175426844) has the molecular formula C16H15BrFN3O2 and a molecular weight of 380.22 g/mol. Its IUPAC name is N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide.

Molecular Properties

Compound NameN-[(3-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide
PubChem CID175426844
Molecular FormulaC16H15BrFN3O2
Molecular Weight380.22 g/mol
Exact Mass379.03
IUPAC NameN-[(3-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide
SMILESCC(Nc1cccc(F)c1)C(=O)NN=Cc1cccc(Br)c1O
InChIInChI=1S/C16H15BrFN3O2/c1-10(20-13-6-3-5-12(18)8-13)16(23)21-19-9-11-4-2-7-14(17)15(11)22/h2-10,20,22H,1H3,(H,21,23)
InChIKeyCKFCTMBGUJZJLD-UHFFFAOYSA-N
XLogP3.24
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.22
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide?
The IUPAC name of N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide (CID 175426844) is N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide.
What is the SMILES notation for N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide?
The canonical SMILES for N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide is CC(Nc1cccc(F)c1)C(=O)NN=Cc1cccc(Br)c1O.
What is the InChIKey of N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide?
The InChIKey is CKFCTMBGUJZJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN3O2/c1-10(20-13-6-3-5-12(18)8-13)16(23)21-19-9-11-4-2-7-14(17)15(11)22/h2-10,20,22H,1H3,(H,21,23).
What are the key properties of N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide?
N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide has a molecular weight of 380.22 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide is sourced from PubChem (CID 175426844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).