2-fluoro-N-(heptan-4-ylideneamino)benzamide

C14H19FN2O — CID 3470873

IUPAC2-fluoro-N-(heptan-4-ylideneamino)benzamide
SMILESCCCC(CCC)=NNC(=O)c1ccccc1F
InChIInChI=1S/C14H19FN2O/c1-3-7-11(8-4-2)16-17-14(18)12-9-5-6-10-13(12)15/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyWESCMZRFAFQOKQ-UHFFFAOYSA-N
MW250.32 g/mol
LogP3.51
Rot. Bonds6

About 2-fluoro-N-(heptan-4-ylideneamino)benzamide

2-fluoro-N-(heptan-4-ylideneamino)benzamide (PubChem CID 3470873) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-fluoro-N-(heptan-4-ylideneamino)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(heptan-4-ylideneamino)benzamide
PubChem CID3470873
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-fluoro-N-(heptan-4-ylideneamino)benzamide
SMILESCCCC(CCC)=NNC(=O)c1ccccc1F
InChIInChI=1S/C14H19FN2O/c1-3-7-11(8-4-2)16-17-14(18)12-9-5-6-10-13(12)15/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyWESCMZRFAFQOKQ-UHFFFAOYSA-N
XLogP3.51
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 53.51
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

2-fluoro-N-(1-phenylpropylideneamino)benzamide
CID 4162373
2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135609434
N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide
CID 5146585
ethyl 2-amino-2-[(2-fluorobenzoyl)hydrazinylidene]acetate
CID 174974451
2-chloro-N-(pentan-3-ylideneamino)benzamide
CID 4620662
N-(heptan-4-ylideneamino)-4-phenylbenzamide
CID 5067120
ethane;2-fluoro-N-methylbenzamide
CID 178102327
2-fluoro-N-methylbenzamide;hydrate
CID 141303255
N-[[4-[(4-chlorophenyl)methylamino]-4-oxobutan-2-ylidene]amino]-2-fluorobenzamide
CID 3130015
2-methyl-N-[(Z)-1-phenylbutylideneamino]benzamide
CID 6520046
N-[(4-ethylphenyl)methylideneamino]-2-fluorobenzamide
CID 2593298
2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 4200169

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(heptan-4-ylideneamino)benzamide?
The IUPAC name of 2-fluoro-N-(heptan-4-ylideneamino)benzamide (CID 3470873) is 2-fluoro-N-(heptan-4-ylideneamino)benzamide.
What is the SMILES notation for 2-fluoro-N-(heptan-4-ylideneamino)benzamide?
The canonical SMILES for 2-fluoro-N-(heptan-4-ylideneamino)benzamide is CCCC(CCC)=NNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(heptan-4-ylideneamino)benzamide?
The InChIKey is WESCMZRFAFQOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-3-7-11(8-4-2)16-17-14(18)12-9-5-6-10-13(12)15/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18).
What are the key properties of 2-fluoro-N-(heptan-4-ylideneamino)benzamide?
2-fluoro-N-(heptan-4-ylideneamino)benzamide has a molecular weight of 250.32 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(heptan-4-ylideneamino)benzamide is sourced from PubChem (CID 3470873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).