2-chloro-5-fluoro-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide

C16H13ClFN3O2S — CID 53163632

IUPAC2-chloro-5-fluoro-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide
SMILESCC(C)c1nnc(-c2sccc2NC(=O)c2cc(F)ccc2Cl)o1
InChIInChI=1S/C16H13ClFN3O2S/c1-8(2)15-20-21-16(23-15)13-12(5-6-24-13)19-14(22)10-7-9(18)3-4-11(10)17/h3-8H,1-2H3,(H,19,22)
InChIKeyMFTDPLNVFJBISU-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.97
Rot. Bonds4

About 2-chloro-5-fluoro-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide

2-chloro-5-fluoro-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide (PubChem CID 53163632) has the molecular formula C16H13ClFN3O2S and a molecular weight of 365.82 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide
PubChem CID53163632
Molecular FormulaC16H13ClFN3O2S
Molecular Weight365.82 g/mol
Exact Mass365.04
IUPAC Name2-chloro-5-fluoro-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide
SMILESCC(C)c1nnc(-c2sccc2NC(=O)c2cc(F)ccc2Cl)o1
InChIInChI=1S/C16H13ClFN3O2S/c1-8(2)15-20-21-16(23-15)13-12(5-6-24-13)19-14(22)10-7-9(18)3-4-11(10)17/h3-8H,1-2H3,(H,19,22)
InChIKeyMFTDPLNVFJBISU-UHFFFAOYSA-N
XLogP4.97
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-fluoro-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide
CID 53163782
2-chloro-4-fluoro-N-[2-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide
CID 53140792
1-[5-(3-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 80642159
N-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]-2,4-dimethylbenzamide
CID 53163565
methyl 3-[(2-chloro-4-fluorobenzoyl)amino]thiophene-2-carboxylate
CID 6470591
N-butan-2-yl-2-chloro-5-fluorobenzamide
CID 129166839
N-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]-2-methoxybenzamide
CID 53163569
2-chloro-N-[(1S)-1-cyanoethyl]-5-fluorobenzamide
CID 126769274
2-(3-bromothiophen-2-yl)-5-(1-chloroethyl)-1,3,4-oxadiazole
CID 63796850
2-chloro-N-(2-chloro-5-fluorophenyl)-5-hydroxybenzamide
CID 107528809
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylbenzamide
CID 53163764
2-chloro-5-fluoro-N-hydroxybenzamide
CID 130688031

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide?
The IUPAC name of 2-chloro-5-fluoro-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide (CID 53163632) is 2-chloro-5-fluoro-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide?
The canonical SMILES for 2-chloro-5-fluoro-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide is CC(C)c1nnc(-c2sccc2NC(=O)c2cc(F)ccc2Cl)o1.
What is the InChIKey of 2-chloro-5-fluoro-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide?
The InChIKey is MFTDPLNVFJBISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2S/c1-8(2)15-20-21-16(23-15)13-12(5-6-24-13)19-14(22)10-7-9(18)3-4-11(10)17/h3-8H,1-2H3,(H,19,22).
What are the key properties of 2-chloro-5-fluoro-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide?
2-chloro-5-fluoro-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide has a molecular weight of 365.82 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide is sourced from PubChem (CID 53163632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).