N-(4-bromo-2-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide

C15H16BrFN2OS — CID 8718056

IUPACN-(4-bromo-2-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(Br)cc1F)Cc1cccs1
InChIInChI=1S/C15H16BrFN2OS/c1-2-19(9-12-4-3-7-21-12)10-15(20)18-14-6-5-11(16)8-13(14)17/h3-8H,2,9-10H2,1H3,(H,18,20)
InChIKeyDMZVVSMQRFDPSR-UHFFFAOYSA-N
MW371.28 g/mol
LogP4.11
Rot. Bonds6

About N-(4-bromo-2-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide

N-(4-bromo-2-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 8718056) has the molecular formula C15H16BrFN2OS and a molecular weight of 371.28 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
PubChem CID8718056
Molecular FormulaC15H16BrFN2OS
Molecular Weight371.28 g/mol
Exact Mass370.02
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(Br)cc1F)Cc1cccs1
InChIInChI=1S/C15H16BrFN2OS/c1-2-19(9-12-4-3-7-21-12)10-15(20)18-14-6-5-11(16)8-13(14)17/h3-8H,2,9-10H2,1H3,(H,18,20)
InChIKeyDMZVVSMQRFDPSR-UHFFFAOYSA-N
XLogP4.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-4-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 61439173
N-(2,6-difluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718062
N-(3,4-difluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718034
2-[2-aminoethyl(ethyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 114231146
N-(4-bromo-2-fluorophenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 2549434
N-(2,3-dimethylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8717968
N-(5-chloro-2-methoxyphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718180
2-[ethyl(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide
CID 8718330
N-(3-chloro-2-methylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8717964
N-[1-(4-bromophenyl)ethyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 55381742
2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008517
2-[bis(thiophen-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 8800785

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide (CID 8718056) is N-(4-bromo-2-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide is CCN(CC(=O)Nc1ccc(Br)cc1F)Cc1cccs1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is DMZVVSMQRFDPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2OS/c1-2-19(9-12-4-3-7-21-12)10-15(20)18-14-6-5-11(16)8-13(14)17/h3-8H,2,9-10H2,1H3,(H,18,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 371.28 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 8718056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).