5-amino-2-fluoro-3-methyl-N-[(4-methylthiophen-3-yl)methyl]benzamide

C14H15FN2OS — CID 103296656

IUPAC5-amino-2-fluoro-3-methyl-N-[(4-methylthiophen-3-yl)methyl]benzamide
SMILESCc1cscc1CNC(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C14H15FN2OS/c1-8-3-11(16)4-12(13(8)15)14(18)17-5-10-7-19-6-9(10)2/h3-4,6-7H,5,16H2,1-2H3,(H,17,18)
InChIKeyAWXDBCIGXRVUQV-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.02
Rot. Bonds3

About 5-amino-2-fluoro-3-methyl-N-[(4-methylthiophen-3-yl)methyl]benzamide

5-amino-2-fluoro-3-methyl-N-[(4-methylthiophen-3-yl)methyl]benzamide (PubChem CID 103296656) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-amino-2-fluoro-3-methyl-N-[(4-methylthiophen-3-yl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-3-methyl-N-[(4-methylthiophen-3-yl)methyl]benzamide
PubChem CID103296656
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name5-amino-2-fluoro-3-methyl-N-[(4-methylthiophen-3-yl)methyl]benzamide
SMILESCc1cscc1CNC(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C14H15FN2OS/c1-8-3-11(16)4-12(13(8)15)14(18)17-5-10-7-19-6-9(10)2/h3-4,6-7H,5,16H2,1-2H3,(H,17,18)
InChIKeyAWXDBCIGXRVUQV-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

5-amino-2-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 103296222
5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide
CID 106032747
5-fluoro-2-hydroxy-N-[(4-methylthiophen-3-yl)methyl]benzamide
CID 115299175
5-amino-N-(2,3-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 103296542
5-amino-2-fluoro-3-methyl-N-pentylbenzamide
CID 103295782
5-amino-N-but-3-enyl-2-fluoro-3-methylbenzamide
CID 103296822
5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 103296226
5-amino-2-fluoro-3-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103295849
ethyl 3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propanoate
CID 103296353
5-amino-2-fluoro-3-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 103296755
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide
CID 103295840
5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296218

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-3-methyl-N-[(4-methylthiophen-3-yl)methyl]benzamide?
The IUPAC name of 5-amino-2-fluoro-3-methyl-N-[(4-methylthiophen-3-yl)methyl]benzamide (CID 103296656) is 5-amino-2-fluoro-3-methyl-N-[(4-methylthiophen-3-yl)methyl]benzamide.
What is the SMILES notation for 5-amino-2-fluoro-3-methyl-N-[(4-methylthiophen-3-yl)methyl]benzamide?
The canonical SMILES for 5-amino-2-fluoro-3-methyl-N-[(4-methylthiophen-3-yl)methyl]benzamide is Cc1cscc1CNC(=O)c1cc(N)cc(C)c1F.
What is the InChIKey of 5-amino-2-fluoro-3-methyl-N-[(4-methylthiophen-3-yl)methyl]benzamide?
The InChIKey is AWXDBCIGXRVUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-8-3-11(16)4-12(13(8)15)14(18)17-5-10-7-19-6-9(10)2/h3-4,6-7H,5,16H2,1-2H3,(H,17,18).
What are the key properties of 5-amino-2-fluoro-3-methyl-N-[(4-methylthiophen-3-yl)methyl]benzamide?
5-amino-2-fluoro-3-methyl-N-[(4-methylthiophen-3-yl)methyl]benzamide 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 5-amino-2-fluoro-3-methyl-N-[(4-methylthiophen-3-yl)methyl]benzamide is sourced from PubChem (CID 103296656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).