2-chloro-6-fluoro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide

C16H13ClFN3OS — CID 86266350

IUPAC2-chloro-6-fluoro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccc(-c2ccsc2)n1)c1c(F)cccc1Cl
InChIInChI=1S/C16H13ClFN3OS/c17-12-2-1-3-13(18)15(12)16(22)19-6-8-21-7-4-14(20-21)11-5-9-23-10-11/h1-5,7,9-10H,6,8H2,(H,19,22)
InChIKeyCJDQOEALUSVSCW-UHFFFAOYSA-N
MW349.82 g/mol
LogP3.83
Rot. Bonds5

About 2-chloro-6-fluoro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide

2-chloro-6-fluoro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide (PubChem CID 86266350) has the molecular formula C16H13ClFN3OS and a molecular weight of 349.82 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide
PubChem CID86266350
Molecular FormulaC16H13ClFN3OS
Molecular Weight349.82 g/mol
Exact Mass349.05
IUPAC Name2-chloro-6-fluoro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccc(-c2ccsc2)n1)c1c(F)cccc1Cl
InChIInChI=1S/C16H13ClFN3OS/c17-12-2-1-3-13(18)15(12)16(22)19-6-8-21-7-4-14(20-21)11-5-9-23-10-11/h1-5,7,9-10H,6,8H2,(H,19,22)
InChIKeyCJDQOEALUSVSCW-UHFFFAOYSA-N
XLogP3.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Afuresertib
CID 46843057
5-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]thiophene-2-carboxamide;hydrochloride
CID 155511113
phenyl[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
CID 2814851
5-(1-(2-(3-chlorophenylamino)-2-oxoethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 9976852
5-(1-(2-(benzylamino)ethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10246779
N-[(2S)-1-amino-3-(3,4-difluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 57826797
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 2970279
Afuresertib Hydrochloride
CID 46843056
N-hydroxy-5-(1-(2-(phenethylamino)ethyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 44418137
N-[4-(4-fluorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 127049214
4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]thiophene-2-carboxamide
CID 127049215
N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 155512930

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide (CID 86266350) is 2-chloro-6-fluoro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide is O=C(NCCn1ccc(-c2ccsc2)n1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide?
The InChIKey is CJDQOEALUSVSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3OS/c17-12-2-1-3-13(18)15(12)16(22)19-6-8-21-7-4-14(20-21)11-5-9-23-10-11/h1-5,7,9-10H,6,8H2,(H,19,22).
What are the key properties of 2-chloro-6-fluoro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide?
2-chloro-6-fluoro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide has a molecular weight of 349.82 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 86266350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).