2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide

C17H13ClFNO3S — CID 129355868

IUPAC2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide
SMILESO=C(NC[C@@H](O)c1ccc(-c2ccsc2)o1)c1c(F)cccc1Cl
InChIInChI=1S/C17H13ClFNO3S/c18-11-2-1-3-12(19)16(11)17(22)20-8-13(21)15-5-4-14(23-15)10-6-7-24-9-10/h1-7,9,13,21H,8H2,(H,20,22)/t13-/m1/s1
InChIKeyAVQHTKAKFWPIDZ-CYBMUJFWSA-N
MW365.81 g/mol
LogP4.26
Rot. Bonds5

About 2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide

2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide (PubChem CID 129355868) has the molecular formula C17H13ClFNO3S and a molecular weight of 365.81 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide
PubChem CID129355868
Molecular FormulaC17H13ClFNO3S
Molecular Weight365.81 g/mol
Exact Mass365.03
IUPAC Name2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide
SMILESO=C(NC[C@@H](O)c1ccc(-c2ccsc2)o1)c1c(F)cccc1Cl
InChIInChI=1S/C17H13ClFNO3S/c18-11-2-1-3-12(19)16(11)17(22)20-8-13(21)15-5-4-14(23-15)10-6-7-24-9-10/h1-7,9,13,21H,8H2,(H,20,22)/t13-/m1/s1
InChIKeyAVQHTKAKFWPIDZ-CYBMUJFWSA-N
XLogP4.26
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.81
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-difluoro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide
CID 122244233
2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]acetamide
CID 129357403
2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 52992615
N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylsulfanylbenzamide
CID 122244235
3-(2-chlorophenyl)-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 129356056
N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylbenzamide
CID 129356603
N'-(3-chloro-2-methylphenyl)-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]oxamide
CID 119102007
N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 129356549
2-chloro-6-fluoro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]benzamide
CID 95986600
N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-chloro-6-fluorobenzamide
CID 100724722
2-chloro-6-fluoro-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]benzamide
CID 122162593
3-(furan-3-yl)-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]prop-2-enamide
CID 171130476

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide (CID 129355868) is 2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide is O=C(NC[C@@H](O)c1ccc(-c2ccsc2)o1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide?
The InChIKey is AVQHTKAKFWPIDZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H13ClFNO3S/c18-11-2-1-3-12(19)16(11)17(22)20-8-13(21)15-5-4-14(23-15)10-6-7-24-9-10/h1-7,9,13,21H,8H2,(H,20,22)/t13-/m1/s1.
What are the key properties of 2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide?
2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide has a molecular weight of 365.81 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide is sourced from PubChem (CID 129355868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).