2,4-dichloro-5-fluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide

C17H21Cl2FN2OS — CID 39177580

IUPAC2,4-dichloro-5-fluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide
SMILESO=C(NCC1(N2CCSCC2)CCCC1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C17H21Cl2FN2OS/c18-13-10-14(19)15(20)9-12(13)16(23)21-11-17(3-1-2-4-17)22-5-7-24-8-6-22/h9-10H,1-8,11H2,(H,21,23)
InChIKeyOQZTXLSDLKFHGR-UHFFFAOYSA-N
MW391.34 g/mol
LogP4.22
Rot. Bonds4

About 2,4-dichloro-5-fluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide

2,4-dichloro-5-fluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide (PubChem CID 39177580) has the molecular formula C17H21Cl2FN2OS and a molecular weight of 391.34 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide
PubChem CID39177580
Molecular FormulaC17H21Cl2FN2OS
Molecular Weight391.34 g/mol
Exact Mass390.07
IUPAC Name2,4-dichloro-5-fluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide
SMILESO=C(NCC1(N2CCSCC2)CCCC1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C17H21Cl2FN2OS/c18-13-10-14(19)15(20)9-12(13)16(23)21-11-17(3-1-2-4-17)22-5-7-24-8-6-22/h9-10H,1-8,11H2,(H,21,23)
InChIKeyOQZTXLSDLKFHGR-UHFFFAOYSA-N
XLogP4.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-5-fluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445263
4-amino-5-chloro-2-methoxy-N-[(1-thiomorpholin-4-ylcycloheptyl)methyl]benzamide
CID 165115746
5-chloro-2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150722
4-(difluoromethoxy)-2,6-difluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide
CID 86975297
2,5-dichloro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139027826
5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide
CID 120643871
5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]benzamide
CID 120646901
7-chloro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 36556252
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]acetamide
CID 39176126
4-bromo-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide
CID 36557381
2,4-dichloro-5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039031
2-fluoro-N-[(4-morpholin-4-ylthian-4-yl)methyl]benzamide
CID 139028683

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide (CID 39177580) is 2,4-dichloro-5-fluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide is O=C(NCC1(N2CCSCC2)CCCC1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide?
The InChIKey is OQZTXLSDLKFHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2FN2OS/c18-13-10-14(19)15(20)9-12(13)16(23)21-11-17(3-1-2-4-17)22-5-7-24-8-6-22/h9-10H,1-8,11H2,(H,21,23).
What are the key properties of 2,4-dichloro-5-fluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide?
2,4-dichloro-5-fluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide has a molecular weight of 391.34 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 39177580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).