4-amino-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide

C13H13FN2OS — CID 62678324

IUPAC4-amino-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C13H13FN2OS/c1-16(7-9-4-5-18-8-9)13(17)10-2-3-12(15)11(14)6-10/h2-6,8H,7,15H2,1H3
InChIKeyFRUIIJXVCWLAPJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.74
Rot. Bonds3

About 4-amino-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide

4-amino-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 62678324) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide
PubChem CID62678324
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name4-amino-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C13H13FN2OS/c1-16(7-9-4-5-18-8-9)13(17)10-2-3-12(15)11(14)6-10/h2-6,8H,7,15H2,1H3
InChIKeyFRUIIJXVCWLAPJ-UHFFFAOYSA-N
XLogP2.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 62682971
4-amino-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62680598
4-amino-N-[(3-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62682042
5-amino-4-fluoro-N-methyl-2-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 62155138
2-amino-N-methyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 60668647
N-methyl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide
CID 18126143
5-chloro-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 60674455
N-methyl-4-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 27889649
4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide
CID 55228481
3-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 79673638
3-amino-4-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 79517764
4-amino-3-fluoro-N-methyl-N-(2-phenylethyl)benzamide
CID 62680430

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 4-amino-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide (CID 62678324) is 4-amino-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide is CN(Cc1ccsc1)C(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is FRUIIJXVCWLAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-16(7-9-4-5-18-8-9)13(17)10-2-3-12(15)11(14)6-10/h2-6,8H,7,15H2,1H3.
What are the key properties of 4-amino-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
4-amino-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 264.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 62678324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).