2-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-4-fluorobenzamide

C17H20BrFN2OS — CID 39212841

IUPAC2-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-4-fluorobenzamide
SMILESCCN(CC)[C@H](CNC(=O)c1ccc(F)cc1Br)c1ccsc1
InChIInChI=1S/C17H20BrFN2OS/c1-3-21(4-2)16(12-7-8-23-11-12)10-20-17(22)14-6-5-13(19)9-15(14)18/h5-9,11,16H,3-4,10H2,1-2H3,(H,20,22)/t16-/m1/s1
InChIKeyVBWGYOBCALMJFK-MRXNPFEDSA-N
MW399.33 g/mol
LogP4.46
Rot. Bonds7

About 2-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-4-fluorobenzamide

2-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-4-fluorobenzamide (PubChem CID 39212841) has the molecular formula C17H20BrFN2OS and a molecular weight of 399.33 g/mol. Its IUPAC name is 2-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-4-fluorobenzamide
PubChem CID39212841
Molecular FormulaC17H20BrFN2OS
Molecular Weight399.33 g/mol
Exact Mass398.05
IUPAC Name2-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-4-fluorobenzamide
SMILESCCN(CC)[C@H](CNC(=O)c1ccc(F)cc1Br)c1ccsc1
InChIInChI=1S/C17H20BrFN2OS/c1-3-21(4-2)16(12-7-8-23-11-12)10-20-17(22)14-6-5-13(19)9-15(14)18/h5-9,11,16H,3-4,10H2,1-2H3,(H,20,22)/t16-/m1/s1
InChIKeyVBWGYOBCALMJFK-MRXNPFEDSA-N
XLogP4.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.33
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]pyridine-3-carboxamide
CID 39214471
2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
CID 16931182
2-bromo-4-fluoro-N-(2-methylbutyl)benzamide
CID 62693317
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide
CID 94119134
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 39212835
N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-2-methyl-5-nitropyridine-3-carboxamide
CID 51941884
2-bromo-4-fluoro-N-(2-phenylbutyl)benzamide
CID 55391050
3-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 62675482
5-bromo-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-hydroxybenzamide
CID 32631312
2-bromo-4-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 78965919
2-bromo-N-(2,3-dihydroxypropyl)-4-fluorobenzamide
CID 66175984
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride
CID 119849729

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-4-fluorobenzamide (CID 39212841) is 2-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-4-fluorobenzamide is CCN(CC)[C@H](CNC(=O)c1ccc(F)cc1Br)c1ccsc1.
What is the InChIKey of 2-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-4-fluorobenzamide?
The InChIKey is VBWGYOBCALMJFK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20BrFN2OS/c1-3-21(4-2)16(12-7-8-23-11-12)10-20-17(22)14-6-5-13(19)9-15(14)18/h5-9,11,16H,3-4,10H2,1-2H3,(H,20,22)/t16-/m1/s1.
What are the key properties of 2-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-4-fluorobenzamide?
2-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-4-fluorobenzamide has a molecular weight of 399.33 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-4-fluorobenzamide is sourced from PubChem (CID 39212841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).