N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-fluorobenzamide;hydrochloride

C19H24ClFN2OS — CID 52984653

IUPACN-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-fluorobenzamide;hydrochloride
SMILESCl.O=C(NCC(c1cccs1)N1CCCCCC1)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2OS.ClH/c20-16-9-7-15(8-10-16)19(23)21-14-17(18-6-5-13-24-18)22-11-3-1-2-4-12-22;/h5-10,13,17H,1-4,11-12,14H2,(H,21,23);1H
InChIKeyXWHPQYZOEWAWBP-UHFFFAOYSA-N
MW382.93 g/mol
LogP4.66
Rot. Bonds5

About N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-fluorobenzamide;hydrochloride

N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-fluorobenzamide;hydrochloride (PubChem CID 52984653) has the molecular formula C19H24ClFN2OS and a molecular weight of 382.93 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-fluorobenzamide;hydrochloride
PubChem CID52984653
Molecular FormulaC19H24ClFN2OS
Molecular Weight382.93 g/mol
Exact Mass382.13
IUPAC NameN-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-fluorobenzamide;hydrochloride
SMILESCl.O=C(NCC(c1cccs1)N1CCCCCC1)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2OS.ClH/c20-16-9-7-15(8-10-16)19(23)21-14-17(18-6-5-13-24-18)22-11-3-1-2-4-12-22;/h5-10,13,17H,1-4,11-12,14H2,(H,21,23);1H
InChIKeyXWHPQYZOEWAWBP-UHFFFAOYSA-N
XLogP4.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.93
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-chlorobenzamide;hydrochloride
CID 52984491
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-tert-butylbenzamide;hydrochloride
CID 52984647
3,5-difluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34979612
4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34949920
4-iodo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43006512
4-bromo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012026
2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 51186575
4-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 42917071
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide;hydrochloride
CID 52984636
4-(difluoromethoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 46522609

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-fluorobenzamide;hydrochloride?
The IUPAC name of N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-fluorobenzamide;hydrochloride (CID 52984653) is N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-fluorobenzamide;hydrochloride?
The canonical SMILES for N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-fluorobenzamide;hydrochloride is Cl.O=C(NCC(c1cccs1)N1CCCCCC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-fluorobenzamide;hydrochloride?
The InChIKey is XWHPQYZOEWAWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2OS.ClH/c20-16-9-7-15(8-10-16)19(23)21-14-17(18-6-5-13-24-18)22-11-3-1-2-4-12-22;/h5-10,13,17H,1-4,11-12,14H2,(H,21,23);1H.
What are the key properties of N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-fluorobenzamide;hydrochloride?
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-fluorobenzamide;hydrochloride has a molecular weight of 382.93 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-fluorobenzamide;hydrochloride is sourced from PubChem (CID 52984653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).