3-fluoro-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]benzamide

C15H17FN2OS — CID 61474435

IUPAC3-fluoro-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]benzamide
SMILESCc1ccc(C(C)NCc2ccc(C(N)=O)cc2F)s1
InChIInChI=1S/C15H17FN2OS/c1-9-3-6-14(20-9)10(2)18-8-12-5-4-11(15(17)19)7-13(12)16/h3-7,10,18H,8H2,1-2H3,(H2,17,19)
InChIKeyMAJHLPYMTOVRJX-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.15
Rot. Bonds5

About 3-fluoro-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]benzamide

3-fluoro-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]benzamide (PubChem CID 61474435) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-fluoro-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]benzamide
PubChem CID61474435
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC Name3-fluoro-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]benzamide
SMILESCc1ccc(C(C)NCc2ccc(C(N)=O)cc2F)s1
InChIInChI=1S/C15H17FN2OS/c1-9-3-6-14(20-9)10(2)18-8-12-5-4-11(15(17)19)7-13(12)16/h3-7,10,18H,8H2,1-2H3,(H2,17,19)
InChIKeyMAJHLPYMTOVRJX-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide
CID 81348792
4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-3-methylbenzamide
CID 114480030
4-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-3-fluorobenzamide
CID 81375322
2-[(4-carbamoyl-2-fluorophenyl)methylamino]-3-methylbutanoic acid
CID 43468217
3-fluoro-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]benzamide
CID 65049143
3-fluoro-4-[(1-hydroxybutan-2-ylamino)methyl]benzamide
CID 43499793
N-[(2-bromo-4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 54953144
4-[(tert-butylamino)methyl]-3-fluorobenzamide
CID 28586612
3-fluoro-4-[(1-phenylpropan-2-ylamino)methyl]benzamide
CID 63011266
3-fluoro-4-[(hexan-3-ylamino)methyl]benzamide
CID 62118950
5-[1-(5-methylthiophen-2-yl)ethylamino]benzene-1,3-dicarboxamide
CID 43106636
N-[(2,6-difluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 54952884

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]benzamide?
The IUPAC name of 3-fluoro-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]benzamide (CID 61474435) is 3-fluoro-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]benzamide?
The canonical SMILES for 3-fluoro-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]benzamide is Cc1ccc(C(C)NCc2ccc(C(N)=O)cc2F)s1.
What is the InChIKey of 3-fluoro-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]benzamide?
The InChIKey is MAJHLPYMTOVRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-9-3-6-14(20-9)10(2)18-8-12-5-4-11(15(17)19)7-13(12)16/h3-7,10,18H,8H2,1-2H3,(H2,17,19).
What are the key properties of 3-fluoro-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]benzamide?
3-fluoro-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]benzamide has a molecular weight of 292.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]benzamide is sourced from PubChem (CID 61474435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).