2-fluoro-N-[(Z)-3-phenylpropylideneamino]benzamide

C16H15FN2O — CID 6167481

IUPAC2-fluoro-N-[(Z)-3-phenylpropylideneamino]benzamide
SMILESO=C(N/N=C\CCc1ccccc1)c1ccccc1F
InChIInChI=1S/C16H15FN2O/c17-15-11-5-4-10-14(15)16(20)19-18-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-12H,6,9H2,(H,19,20)/b18-12-
InChIKeyMTEHFTCVUCEMKV-PDGQHHTCSA-N
MW270.31 g/mol
LogP3.17
Rot. Bonds5

About 2-fluoro-N-[(Z)-3-phenylpropylideneamino]benzamide

2-fluoro-N-[(Z)-3-phenylpropylideneamino]benzamide (PubChem CID 6167481) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-fluoro-N-[(Z)-3-phenylpropylideneamino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(Z)-3-phenylpropylideneamino]benzamide
PubChem CID6167481
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name2-fluoro-N-[(Z)-3-phenylpropylideneamino]benzamide
SMILESO=C(N/N=C\CCc1ccccc1)c1ccccc1F
InChIInChI=1S/C16H15FN2O/c17-15-11-5-4-10-14(15)16(20)19-18-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-12H,6,9H2,(H,19,20)/b18-12-
InChIKeyMTEHFTCVUCEMKV-PDGQHHTCSA-N
XLogP3.17
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.17
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'}

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Related Compounds

3-hydroxy-N-[(Z)-3-phenylpropylideneamino]naphthalene-2-carboxamide
CID 6263341
4-amino-N-[(Z)-3-phenylpropylideneamino]benzamide
CID 9070990
N'-(3-phenylpropylideneamino)oxamide
CID 4674915
N-[(4-ethylphenyl)methylideneamino]-2-fluorobenzamide
CID 2593298
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
2-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7788018
N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-2-fluorobenzamide
CID 9236025
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
2-cyano-N-(3-phenylpropylideneamino)acetamide
CID 5104820
N-[(2,5-difluorophenyl)methylideneamino]-2-(2-phenylethyl)benzamide
CID 6736075
2-methyl-N-[3-[[(E)-3-phenylpropylideneamino]carbamoyl]phenyl]benzamide
CID 7238939
2-fluoro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 136713264

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(Z)-3-phenylpropylideneamino]benzamide?
The IUPAC name of 2-fluoro-N-[(Z)-3-phenylpropylideneamino]benzamide (CID 6167481) is 2-fluoro-N-[(Z)-3-phenylpropylideneamino]benzamide.
What is the SMILES notation for 2-fluoro-N-[(Z)-3-phenylpropylideneamino]benzamide?
The canonical SMILES for 2-fluoro-N-[(Z)-3-phenylpropylideneamino]benzamide is O=C(N/N=C\CCc1ccccc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(Z)-3-phenylpropylideneamino]benzamide?
The InChIKey is MTEHFTCVUCEMKV-PDGQHHTCSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-15-11-5-4-10-14(15)16(20)19-18-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-12H,6,9H2,(H,19,20)/b18-12-.
What are the key properties of 2-fluoro-N-[(Z)-3-phenylpropylideneamino]benzamide?
2-fluoro-N-[(Z)-3-phenylpropylideneamino]benzamide has a molecular weight of 270.31 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(Z)-3-phenylpropylideneamino]benzamide is sourced from PubChem (CID 6167481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).