3-(1-benzothiophen-3-ylmethylamino)-4-fluorobenzamide

C16H13FN2OS — CID 62699985

IUPAC3-(1-benzothiophen-3-ylmethylamino)-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(NCc2csc3ccccc23)c1
InChIInChI=1S/C16H13FN2OS/c17-13-6-5-10(16(18)20)7-14(13)19-8-11-9-21-15-4-2-1-3-12(11)15/h1-7,9,19H,8H2,(H2,18,20)
InChIKeyKCAAVEMMBGHZLZ-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.75
Rot. Bonds4

About 3-(1-benzothiophen-3-ylmethylamino)-4-fluorobenzamide

3-(1-benzothiophen-3-ylmethylamino)-4-fluorobenzamide (PubChem CID 62699985) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-ylmethylamino)-4-fluorobenzamide.

Molecular Properties

Compound Name3-(1-benzothiophen-3-ylmethylamino)-4-fluorobenzamide
PubChem CID62699985
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name3-(1-benzothiophen-3-ylmethylamino)-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(NCc2csc3ccccc23)c1
InChIInChI=1S/C16H13FN2OS/c17-13-6-5-10(16(18)20)7-14(13)19-8-11-9-21-15-4-2-1-3-12(11)15/h1-7,9,19H,8H2,(H2,18,20)
InChIKeyKCAAVEMMBGHZLZ-UHFFFAOYSA-N
XLogP3.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1-benzothiophen-3-ylmethylamino)-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-benzothiophen-3-ylmethylamino)-4-fluorobenzoic acid
CID 62698098
N-(1-benzothiophen-3-ylmethyl)-4-bromo-2,5-difluoroaniline
CID 107609618
4-fluoro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951237
4-(1-benzothiophen-3-ylmethylamino)benzoic acid
CID 62700164
4-[(5-carbamoyl-2-fluoroanilino)methyl]benzoic acid
CID 65348107
2-(1-benzothiophen-3-yl)-1-(3-chloro-4-fluorophenyl)ethanone
CID 63738642
4-fluoro-3-(pyrimidin-5-ylmethylamino)benzamide
CID 62760275
ethyl N-[2-amino-4-(1-benzothiophen-3-ylmethylamino)phenyl]carbamate;dihydrochloride
CID 69269790
3-[5-[(1-benzothiophen-3-ylmethylamino)methyl]-2-pyridinyl]benzamide
CID 25216704
4-[(2-chloroanilino)methyl]-3-fluorobenzamide
CID 28581400
5-[(5-chloro-2-fluoroanilino)methyl]thiophene-3-carboxamide
CID 79614589
4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide
CID 43701304

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-ylmethylamino)-4-fluorobenzamide?
The IUPAC name of 3-(1-benzothiophen-3-ylmethylamino)-4-fluorobenzamide (CID 62699985) is 3-(1-benzothiophen-3-ylmethylamino)-4-fluorobenzamide.
What is the SMILES notation for 3-(1-benzothiophen-3-ylmethylamino)-4-fluorobenzamide?
The canonical SMILES for 3-(1-benzothiophen-3-ylmethylamino)-4-fluorobenzamide is NC(=O)c1ccc(F)c(NCc2csc3ccccc23)c1.
What is the InChIKey of 3-(1-benzothiophen-3-ylmethylamino)-4-fluorobenzamide?
The InChIKey is KCAAVEMMBGHZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c17-13-6-5-10(16(18)20)7-14(13)19-8-11-9-21-15-4-2-1-3-12(11)15/h1-7,9,19H,8H2,(H2,18,20).
What are the key properties of 3-(1-benzothiophen-3-ylmethylamino)-4-fluorobenzamide?
3-(1-benzothiophen-3-ylmethylamino)-4-fluorobenzamide has a molecular weight of 300.36 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-ylmethylamino)-4-fluorobenzamide is sourced from PubChem (CID 62699985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).