2-chloro-6-fluoro-N-[2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethyl]benzamide

C17H19ClFN3O2S — CID 118289516

IUPAC2-chloro-6-fluoro-N-[2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCC(c1cscn1)N1CCCOCC1)c1c(F)cccc1Cl
InChIInChI=1S/C17H19ClFN3O2S/c18-12-3-1-4-13(19)16(12)17(23)20-9-15(14-10-25-11-21-14)22-5-2-7-24-8-6-22/h1,3-4,10-11,15H,2,5-9H2,(H,20,23)
InChIKeyFDHGMNZVUUQDHM-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.13
Rot. Bonds5

About 2-chloro-6-fluoro-N-[2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethyl]benzamide

2-chloro-6-fluoro-N-[2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 118289516) has the molecular formula C17H19ClFN3O2S and a molecular weight of 383.88 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID118289516
Molecular FormulaC17H19ClFN3O2S
Molecular Weight383.88 g/mol
Exact Mass383.09
IUPAC Name2-chloro-6-fluoro-N-[2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCC(c1cscn1)N1CCCOCC1)c1c(F)cccc1Cl
InChIInChI=1S/C17H19ClFN3O2S/c18-12-3-1-4-13(19)16(12)17(23)20-9-15(14-10-25-11-21-14)22-5-2-7-24-8-6-22/h1,3-4,10-11,15H,2,5-9H2,(H,20,23)
InChIKeyFDHGMNZVUUQDHM-UHFFFAOYSA-N
XLogP3.13
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-6-fluoro-N-[2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[2-(3,3-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide
CID 118289462
2-chloro-6-fluoro-N(2-(morpholin-4-yl)-2-(thiazol-5-yl)-ethyl)benzamide
CID 118289465
2-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)-ethyl]-6-fluoro-benzamide
CID 118289468
2-chloro-N-[2-(4,4-difluoro-piperidin-1-yl)-2-(1,3-thiazol-2-yl)-ethyl]-6-fluoro-benzamide
CID 118289474
2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide
CID 118289497
2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(morpholin-4-yl)ethyl]benzamide
CID 118289505
2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-6-fluorobenzamide
CID 118289526
2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethyl]-6-fluorobenzamide
CID 118289540
2-chloro-N-{2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4,4-difluoropiperidin-1-yl)ethyl}-6-fluorobenzamide
CID 118303019
2-chloro-6-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-{5-oxa-8-azaspiro[3.5]nonan-8-yl}ethyl]benzamide
CID 118303057
2-chloro-N-{2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(morpholin-4-yl)ethyl}-6-fluorobenzamide
CID 118303080
2-chloro-N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide
CID 118303085

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethyl]benzamide (CID 118289516) is 2-chloro-6-fluoro-N-[2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethyl]benzamide is O=C(NCC(c1cscn1)N1CCCOCC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is FDHGMNZVUUQDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN3O2S/c18-12-3-1-4-13(19)16(12)17(23)20-9-15(14-10-25-11-21-14)22-5-2-7-24-8-6-22/h1,3-4,10-11,15H,2,5-9H2,(H,20,23).
What are the key properties of 2-chloro-6-fluoro-N-[2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethyl]benzamide?
2-chloro-6-fluoro-N-[2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 383.88 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 118289516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).