2-(3-fluoroanilino)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]butanamide

C17H17F2N3O2 — CID 168875853

IUPAC2-(3-fluoroanilino)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]butanamide
SMILESCCC(Nc1cccc(F)c1)C(=O)NN=Cc1cc(F)ccc1O
InChIInChI=1S/C17H17F2N3O2/c1-2-15(21-14-5-3-4-12(18)9-14)17(24)22-20-10-11-8-13(19)6-7-16(11)23/h3-10,15,21,23H,2H2,1H3,(H,22,24)
InChIKeyOMSICSHCKCNLJI-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.01
Rot. Bonds6

About 2-(3-fluoroanilino)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]butanamide

2-(3-fluoroanilino)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]butanamide (PubChem CID 168875853) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]butanamide.

Molecular Properties

Compound Name2-(3-fluoroanilino)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]butanamide
PubChem CID168875853
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name2-(3-fluoroanilino)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]butanamide
SMILESCCC(Nc1cccc(F)c1)C(=O)NN=Cc1cc(F)ccc1O
InChIInChI=1S/C17H17F2N3O2/c1-2-15(21-14-5-3-4-12(18)9-14)17(24)22-20-10-11-8-13(19)6-7-16(11)23/h3-10,15,21,23H,2H2,1H3,(H,22,24)
InChIKeyOMSICSHCKCNLJI-UHFFFAOYSA-N
XLogP3.01
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.01
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 2-(3-fluoroanilino)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]butanamide 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-[(2,3-dihydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)butanamide
CID 168875871
(2R)-2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide
CID 135764360
(2S)-2-(4-bromoanilino)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]butanamide
CID 136757862
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-chloroanilino)butanamide
CID 4151265
N-[(2,6-dihydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)propanamide
CID 175426842
(2R)-2-anilino-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]butanamide
CID 135764356
2-(4-bromoanilino)-N-[(2-fluorophenyl)methylideneamino]butanamide
CID 3470743
2-(4-bromoanilino)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]butanamide
CID 135679122
(2S)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)butanamide
CID 135688422
2-(4-bromoanilino)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]butanamide
CID 135614393
2-(4-bromoanilino)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butanamide
CID 3810139
2-(4-bromoanilino)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]butanamide
CID 135822355

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]butanamide?
The IUPAC name of 2-(3-fluoroanilino)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]butanamide (CID 168875853) is 2-(3-fluoroanilino)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]butanamide.
What is the SMILES notation for 2-(3-fluoroanilino)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]butanamide?
The canonical SMILES for 2-(3-fluoroanilino)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]butanamide is CCC(Nc1cccc(F)c1)C(=O)NN=Cc1cc(F)ccc1O.
What is the InChIKey of 2-(3-fluoroanilino)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]butanamide?
The InChIKey is OMSICSHCKCNLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c1-2-15(21-14-5-3-4-12(18)9-14)17(24)22-20-10-11-8-13(19)6-7-16(11)23/h3-10,15,21,23H,2H2,1H3,(H,22,24).
What are the key properties of 2-(3-fluoroanilino)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]butanamide?
2-(3-fluoroanilino)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]butanamide has a molecular weight of 333.34 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]butanamide is sourced from PubChem (CID 168875853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).