N-[1-(3-fluorophenyl)ethyl]-4-sulfanylbenzamide

C15H14FNOS — CID 107025556

IUPACN-[1-(3-fluorophenyl)ethyl]-4-sulfanylbenzamide
SMILESCC(NC(=O)c1ccc(S)cc1)c1cccc(F)c1
InChIInChI=1S/C15H14FNOS/c1-10(12-3-2-4-13(16)9-12)17-15(18)11-5-7-14(19)8-6-11/h2-10,19H,1H3,(H,17,18)
InChIKeyCXNGWAMYLPMULD-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.61
Rot. Bonds3

About N-[1-(3-fluorophenyl)ethyl]-4-sulfanylbenzamide

N-[1-(3-fluorophenyl)ethyl]-4-sulfanylbenzamide (PubChem CID 107025556) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-4-sulfanylbenzamide
PubChem CID107025556
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-4-sulfanylbenzamide
SMILESCC(NC(=O)c1ccc(S)cc1)c1cccc(F)c1
InChIInChI=1S/C15H14FNOS/c1-10(12-3-2-4-13(16)9-12)17-15(18)11-5-7-14(19)8-6-11/h2-10,19H,1H3,(H,17,18)
InChIKeyCXNGWAMYLPMULD-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-fluorophenyl)ethyl]-4-iodobenzamide
CID 47098593
4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81366240
4-(chloromethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81364892
N-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide
CID 103601942
N-[1-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56809827
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 81366044
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
CID 7944591
4-amino-3,5-dichloro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 82808709
N-[1-(3-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide
CID 78949059
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
4-(benzenesulfonylmethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 51955516
2-bromo-N-[1-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 113255496

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-4-sulfanylbenzamide?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-4-sulfanylbenzamide (CID 107025556) is N-[1-(3-fluorophenyl)ethyl]-4-sulfanylbenzamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-4-sulfanylbenzamide?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-4-sulfanylbenzamide is CC(NC(=O)c1ccc(S)cc1)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-4-sulfanylbenzamide?
The InChIKey is CXNGWAMYLPMULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c1-10(12-3-2-4-13(16)9-12)17-15(18)11-5-7-14(19)8-6-11/h2-10,19H,1H3,(H,17,18).
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-4-sulfanylbenzamide?
N-[1-(3-fluorophenyl)ethyl]-4-sulfanylbenzamide has a molecular weight of 275.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-4-sulfanylbenzamide is sourced from PubChem (CID 107025556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).