N-[5-[(4-bromothiophen-2-yl)methylamino]-2-fluorophenyl]acetamide

C13H12BrFN2OS — CID 54862670

IUPACN-[5-[(4-bromothiophen-2-yl)methylamino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2cc(Br)cs2)ccc1F
InChIInChI=1S/C13H12BrFN2OS/c1-8(18)17-13-5-10(2-3-12(13)15)16-6-11-4-9(14)7-19-11/h2-5,7,16H,6H2,1H3,(H,17,18)
InChIKeySLIJUVPOMWYARJ-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.22
Rot. Bonds4

About N-[5-[(4-bromothiophen-2-yl)methylamino]-2-fluorophenyl]acetamide

N-[5-[(4-bromothiophen-2-yl)methylamino]-2-fluorophenyl]acetamide (PubChem CID 54862670) has the molecular formula C13H12BrFN2OS and a molecular weight of 343.22 g/mol. Its IUPAC name is N-[5-[(4-bromothiophen-2-yl)methylamino]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(4-bromothiophen-2-yl)methylamino]-2-fluorophenyl]acetamide
PubChem CID54862670
Molecular FormulaC13H12BrFN2OS
Molecular Weight343.22 g/mol
Exact Mass341.98
IUPAC NameN-[5-[(4-bromothiophen-2-yl)methylamino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2cc(Br)cs2)ccc1F
InChIInChI=1S/C13H12BrFN2OS/c1-8(18)17-13-5-10(2-3-12(13)15)16-6-11-4-9(14)7-19-11/h2-5,7,16H,6H2,1H3,(H,17,18)
InChIKeySLIJUVPOMWYARJ-UHFFFAOYSA-N
XLogP4.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60927782
5-[(4-bromothiophen-2-yl)methylamino]-2-fluorobenzoic acid
CID 43728012
4-[(4-bromothiophen-2-yl)methylamino]-2-fluorobenzoic acid
CID 115485490
1-[4-[(4-bromothiophen-2-yl)methylamino]phenyl]ethanone
CID 115586166
N-[2-fluoro-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide
CID 54862658
N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide
CID 75469999
2-(3-acetamido-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 31766622
N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
CID 60928010
N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928628
N-[(4-bromothiophen-2-yl)methyl]-5-chloro-2-fluoroaniline
CID 43438232
N-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928497
N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 63667393

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-bromothiophen-2-yl)methylamino]-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-[(4-bromothiophen-2-yl)methylamino]-2-fluorophenyl]acetamide (CID 54862670) is N-[5-[(4-bromothiophen-2-yl)methylamino]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-[(4-bromothiophen-2-yl)methylamino]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-[(4-bromothiophen-2-yl)methylamino]-2-fluorophenyl]acetamide is CC(=O)Nc1cc(NCc2cc(Br)cs2)ccc1F.
What is the InChIKey of N-[5-[(4-bromothiophen-2-yl)methylamino]-2-fluorophenyl]acetamide?
The InChIKey is SLIJUVPOMWYARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2OS/c1-8(18)17-13-5-10(2-3-12(13)15)16-6-11-4-9(14)7-19-11/h2-5,7,16H,6H2,1H3,(H,17,18).
What are the key properties of N-[5-[(4-bromothiophen-2-yl)methylamino]-2-fluorophenyl]acetamide?
N-[5-[(4-bromothiophen-2-yl)methylamino]-2-fluorophenyl]acetamide has a molecular weight of 343.22 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-bromothiophen-2-yl)methylamino]-2-fluorophenyl]acetamide is sourced from PubChem (CID 54862670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).