N-[(5-ethylthiophen-2-yl)methylideneamino]-2-fluorobenzamide

C14H13FN2OS — CID 5157104

IUPACN-[(5-ethylthiophen-2-yl)methylideneamino]-2-fluorobenzamide
SMILESCCc1ccc(C=NNC(=O)c2ccccc2F)s1
InChIInChI=1S/C14H13FN2OS/c1-2-10-7-8-11(19-10)9-16-17-14(18)12-5-3-4-6-13(12)15/h3-9H,2H2,1H3,(H,17,18)
InChIKeySMOBUGQQQFMZRY-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.21
Rot. Bonds4

About N-[(5-ethylthiophen-2-yl)methylideneamino]-2-fluorobenzamide

N-[(5-ethylthiophen-2-yl)methylideneamino]-2-fluorobenzamide (PubChem CID 5157104) has the molecular formula C14H13FN2OS and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methylideneamino]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methylideneamino]-2-fluorobenzamide
PubChem CID5157104
Molecular FormulaC14H13FN2OS
Molecular Weight276.34 g/mol
Exact Mass276.07
IUPAC NameN-[(5-ethylthiophen-2-yl)methylideneamino]-2-fluorobenzamide
SMILESCCc1ccc(C=NNC(=O)c2ccccc2F)s1
InChIInChI=1S/C14H13FN2OS/c1-2-10-7-8-11(19-10)9-16-17-14(18)12-5-3-4-6-13(12)15/h3-9H,2H2,1H3,(H,17,18)
InChIKeySMOBUGQQQFMZRY-UHFFFAOYSA-N
XLogP3.21
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide
CID 5412339
N-[(4-ethylphenyl)methylideneamino]-2-fluorobenzamide
CID 2593298
N-[(5-ethylthiophen-2-yl)methylideneamino]-4-methylbenzamide
CID 4188286
2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 5108019
N-[(5-ethylthiophen-2-yl)methylideneamino]-3,5-dihydroxybenzamide
CID 840834
3-bromo-N-[(5-ethylthiophen-2-yl)methylideneamino]benzamide
CID 4187812
2-fluoro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6907963
2-fluoro-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 757986
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
2-fluoro-N-(furan-3-ylmethylideneamino)benzamide
CID 24819065
N-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 2593226
2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418279

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methylideneamino]-2-fluorobenzamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methylideneamino]-2-fluorobenzamide (CID 5157104) is N-[(5-ethylthiophen-2-yl)methylideneamino]-2-fluorobenzamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methylideneamino]-2-fluorobenzamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methylideneamino]-2-fluorobenzamide is CCc1ccc(C=NNC(=O)c2ccccc2F)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methylideneamino]-2-fluorobenzamide?
The InChIKey is SMOBUGQQQFMZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS/c1-2-10-7-8-11(19-10)9-16-17-14(18)12-5-3-4-6-13(12)15/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of N-[(5-ethylthiophen-2-yl)methylideneamino]-2-fluorobenzamide?
N-[(5-ethylthiophen-2-yl)methylideneamino]-2-fluorobenzamide has a molecular weight of 276.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methylideneamino]-2-fluorobenzamide is sourced from PubChem (CID 5157104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).