N-[2-[(5-bromo-4-fluoro-2-methylanilino)methyl]thiophen-3-yl]acetamide

C14H14BrFN2OS — CID 107591392

IUPACN-[2-[(5-bromo-4-fluoro-2-methylanilino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNc1cc(Br)c(F)cc1C
InChIInChI=1S/C14H14BrFN2OS/c1-8-5-11(16)10(15)6-13(8)17-7-14-12(3-4-20-14)18-9(2)19/h3-6,17H,7H2,1-2H3,(H,18,19)
InChIKeyKAUIGIJPJIDLPZ-UHFFFAOYSA-N
MW357.25 g/mol
LogP4.53
Rot. Bonds4

About N-[2-[(5-bromo-4-fluoro-2-methylanilino)methyl]thiophen-3-yl]acetamide

N-[2-[(5-bromo-4-fluoro-2-methylanilino)methyl]thiophen-3-yl]acetamide (PubChem CID 107591392) has the molecular formula C14H14BrFN2OS and a molecular weight of 357.25 g/mol. Its IUPAC name is N-[2-[(5-bromo-4-fluoro-2-methylanilino)methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-bromo-4-fluoro-2-methylanilino)methyl]thiophen-3-yl]acetamide
PubChem CID107591392
Molecular FormulaC14H14BrFN2OS
Molecular Weight357.25 g/mol
Exact Mass356.00
IUPAC NameN-[2-[(5-bromo-4-fluoro-2-methylanilino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNc1cc(Br)c(F)cc1C
InChIInChI=1S/C14H14BrFN2OS/c1-8-5-11(16)10(15)6-13(8)17-7-14-12(3-4-20-14)18-9(2)19/h3-6,17H,7H2,1-2H3,(H,18,19)
InChIKeyKAUIGIJPJIDLPZ-UHFFFAOYSA-N
XLogP4.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(3-chlorothiophen-2-yl)methyl]-4-fluoro-2-methylaniline
CID 112749369
N-[2-[(2-fluoro-5-methylanilino)methyl]thiophen-3-yl]acetamide
CID 66384913
N-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide
CID 66386124
N-[2-[(2-methyl-5-nitroanilino)methyl]thiophen-3-yl]acetamide
CID 66385553
N-[4-[(3-bromothiophen-2-yl)methylamino]-2-methylphenyl]acetamide
CID 115379864
N-[2-[(3-fluoro-4-hydroxyanilino)methyl]thiophen-3-yl]acetamide
CID 66385208
5-bromo-N-[(3-bromothiophen-2-yl)methyl]-2,4-difluoroaniline
CID 102852725
N-[2-[(thiophen-3-ylamino)methyl]thiophen-3-yl]acetamide
CID 66385011
N-[2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-yl]acetamide
CID 66387889
N-[2-[(3-bromo-4-nitroanilino)methyl]thiophen-3-yl]acetamide
CID 82863772
N-[2-[(2-ethoxy-4-methylanilino)methyl]thiophen-3-yl]acetamide
CID 66385169
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-methylaniline
CID 107591591

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromo-4-fluoro-2-methylanilino)methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[(5-bromo-4-fluoro-2-methylanilino)methyl]thiophen-3-yl]acetamide (CID 107591392) is N-[2-[(5-bromo-4-fluoro-2-methylanilino)methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[(5-bromo-4-fluoro-2-methylanilino)methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[(5-bromo-4-fluoro-2-methylanilino)methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNc1cc(Br)c(F)cc1C.
What is the InChIKey of N-[2-[(5-bromo-4-fluoro-2-methylanilino)methyl]thiophen-3-yl]acetamide?
The InChIKey is KAUIGIJPJIDLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2OS/c1-8-5-11(16)10(15)6-13(8)17-7-14-12(3-4-20-14)18-9(2)19/h3-6,17H,7H2,1-2H3,(H,18,19).
What are the key properties of N-[2-[(5-bromo-4-fluoro-2-methylanilino)methyl]thiophen-3-yl]acetamide?
N-[2-[(5-bromo-4-fluoro-2-methylanilino)methyl]thiophen-3-yl]acetamide has a molecular weight of 357.25 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromo-4-fluoro-2-methylanilino)methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 107591392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).