3-fluoro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide

C15H15FN2O2S — CID 108542051

IUPAC3-fluoro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
SMILESO=C(Cc1cccs1)NCCNC(=O)c1cccc(F)c1
InChIInChI=1S/C15H15FN2O2S/c16-12-4-1-3-11(9-12)15(20)18-7-6-17-14(19)10-13-5-2-8-21-13/h1-5,8-9H,6-7,10H2,(H,17,19)(H,18,20)
InChIKeyPWHSIEYMRGDDIJ-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.98
Rot. Bonds6

About 3-fluoro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide

3-fluoro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide (PubChem CID 108542051) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-fluoro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
PubChem CID108542051
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name3-fluoro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
SMILESO=C(Cc1cccs1)NCCNC(=O)c1cccc(F)c1
InChIInChI=1S/C15H15FN2O2S/c16-12-4-1-3-11(9-12)15(20)18-7-6-17-14(19)10-13-5-2-8-21-13/h1-5,8-9H,6-7,10H2,(H,17,19)(H,18,20)
InChIKeyPWHSIEYMRGDDIJ-UHFFFAOYSA-N
XLogP1.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
3-acetamido-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
CID 108541843
N-[2-(2,5-difluorophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 110788173
N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]pyridine-4-carboxamide
CID 108542045
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108574697
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 49335870
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266
2-hydroxy-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
CID 47712275
3-fluoro-N-[2-(2-hydroxyethylamino)ethyl]benzamide
CID 175851417
N-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540166
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide (CID 108542051) is 3-fluoro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide is O=C(Cc1cccs1)NCCNC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide?
The InChIKey is PWHSIEYMRGDDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-12-4-1-3-11(9-12)15(20)18-7-6-17-14(19)10-13-5-2-8-21-13/h1-5,8-9H,6-7,10H2,(H,17,19)(H,18,20).
What are the key properties of 3-fluoro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide?
3-fluoro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide has a molecular weight of 306.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide is sourced from PubChem (CID 108542051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).