N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chloro-6-fluorobenzamide

C19H22ClFN2OS — CID 16931831

IUPACN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chloro-6-fluorobenzamide
SMILESO=C(NCC(c1ccsc1)N1CCCCCC1)c1c(F)cccc1Cl
InChIInChI=1S/C19H22ClFN2OS/c20-15-6-5-7-16(21)18(15)19(24)22-12-17(14-8-11-25-13-14)23-9-3-1-2-4-10-23/h5-8,11,13,17H,1-4,9-10,12H2,(H,22,24)
InChIKeyNWTYDXGXIMYWHP-UHFFFAOYSA-N
MW380.92 g/mol
LogP4.89
Rot. Bonds5

About N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chloro-6-fluorobenzamide

N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chloro-6-fluorobenzamide (PubChem CID 16931831) has the molecular formula C19H22ClFN2OS and a molecular weight of 380.92 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chloro-6-fluorobenzamide
PubChem CID16931831
Molecular FormulaC19H22ClFN2OS
Molecular Weight380.92 g/mol
Exact Mass380.11
IUPAC NameN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chloro-6-fluorobenzamide
SMILESO=C(NCC(c1ccsc1)N1CCCCCC1)c1c(F)cccc1Cl
InChIInChI=1S/C19H22ClFN2OS/c20-15-6-5-7-16(21)18(15)19(24)22-12-17(14-8-11-25-13-14)23-9-3-1-2-4-10-23/h5-8,11,13,17H,1-4,9-10,12H2,(H,22,24)
InChIKeyNWTYDXGXIMYWHP-UHFFFAOYSA-N
XLogP4.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chloro-6-fluorobenzamide (CID 16931831) is N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chloro-6-fluorobenzamide is O=C(NCC(c1ccsc1)N1CCCCCC1)c1c(F)cccc1Cl.
What is the InChIKey of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chloro-6-fluorobenzamide?
The InChIKey is NWTYDXGXIMYWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2OS/c20-15-6-5-7-16(21)18(15)19(24)22-12-17(14-8-11-25-13-14)23-9-3-1-2-4-10-23/h5-8,11,13,17H,1-4,9-10,12H2,(H,22,24).
What are the key properties of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chloro-6-fluorobenzamide?
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chloro-6-fluorobenzamide has a molecular weight of 380.92 g/mol, XLogP of 4.89, 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-3-ylethyl]-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 16931831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).