2-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide

C16H15FN2O — CID 7788018

IUPAC2-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
SMILESC[C@H](/C=N\NC(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C16H15FN2O/c1-12(13-7-3-2-4-8-13)11-18-19-16(20)14-9-5-6-10-15(14)17/h2-12H,1H3,(H,19,20)/b18-11-/t12-/m1/s1
InChIKeyULRDRWIFLOBHCQ-OTWJJXBCSA-N
MW270.31 g/mol
LogP3.35
Rot. Bonds4

About 2-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide

2-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide (PubChem CID 7788018) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
PubChem CID7788018
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name2-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
SMILESC[C@H](/C=N\NC(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C16H15FN2O/c1-12(13-7-3-2-4-8-13)11-18-19-16(20)14-9-5-6-10-15(14)17/h2-12H,1H3,(H,19,20)/b18-11-/t12-/m1/s1
InChIKeyULRDRWIFLOBHCQ-OTWJJXBCSA-N
XLogP3.35
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
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 2-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]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

4-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7722367
N-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide
CID 21214243
4-chloro-N-[(E)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 7353788
3-hydroxy-N-(2-phenylpropylideneamino)naphthalene-2-carboxamide
CID 3305343
2,4-dimethyl-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 7392408
2-N,5-N-bis[(Z)-[(2S)-2-phenylpropylidene]amino]furan-2,5-dicarboxamide
CID 40571735
3-fluoro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 5391559
3-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7723125
4-tert-butyl-N-(2-phenylpropylideneamino)benzamide
CID 4694795
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
2-fluoro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 4996860

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide?
The IUPAC name of 2-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide (CID 7788018) is 2-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide.
What is the SMILES notation for 2-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide?
The canonical SMILES for 2-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide is C[C@H](/C=N\NC(=O)c1ccccc1F)c1ccccc1.
What is the InChIKey of 2-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide?
The InChIKey is ULRDRWIFLOBHCQ-OTWJJXBCSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-12(13-7-3-2-4-8-13)11-18-19-16(20)14-9-5-6-10-15(14)17/h2-12H,1H3,(H,19,20)/b18-11-/t12-/m1/s1.
What are the key properties of 2-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide?
2-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide has a molecular weight of 270.31 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide is sourced from PubChem (CID 7788018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).