3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-fluorobenzamide

C14H15FN2OS — CID 65241104

IUPAC3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-fluorobenzamide
SMILESCc1cc(CNC(=O)c2ccc(F)c(N)c2)sc1C
InChIInChI=1S/C14H15FN2OS/c1-8-5-11(19-9(8)2)7-17-14(18)10-3-4-12(15)13(16)6-10/h3-6H,7,16H2,1-2H3,(H,17,18)
InChIKeyQEXDXVCJGVXYBA-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.02
Rot. Bonds3

About 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-fluorobenzamide

3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-fluorobenzamide (PubChem CID 65241104) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-fluorobenzamide
PubChem CID65241104
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-fluorobenzamide
SMILESCc1cc(CNC(=O)c2ccc(F)c(N)c2)sc1C
InChIInChI=1S/C14H15FN2OS/c1-8-5-11(19-9(8)2)7-17-14(18)10-3-4-12(15)13(16)6-10/h3-6H,7,16H2,1-2H3,(H,17,18)
InChIKeyQEXDXVCJGVXYBA-UHFFFAOYSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-hydroxybenzamide
CID 107075489
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methoxybenzamide
CID 65241851
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-hydrazinylbenzamide
CID 65245855
3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 107999567
5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide
CID 102705675
4-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 65243956
3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 61282063
4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 82832446
3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 43436899
3-amino-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 61139818
3-amino-4-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 61138905
3-amino-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63279962

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-fluorobenzamide?
The IUPAC name of 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-fluorobenzamide (CID 65241104) is 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-fluorobenzamide.
What is the SMILES notation for 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-fluorobenzamide?
The canonical SMILES for 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-fluorobenzamide is Cc1cc(CNC(=O)c2ccc(F)c(N)c2)sc1C.
What is the InChIKey of 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-fluorobenzamide?
The InChIKey is QEXDXVCJGVXYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-8-5-11(19-9(8)2)7-17-14(18)10-3-4-12(15)13(16)6-10/h3-6H,7,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-fluorobenzamide?
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-fluorobenzamide has a molecular weight of 278.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 65241104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).