N-[2-(4-chlorophenyl)-2-fluorocyclopropyl]-3-ethylthiophene-2-carboxamide

C16H15ClFNOS — CID 123449590

IUPACN-[2-(4-chlorophenyl)-2-fluorocyclopropyl]-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NC1CC1(F)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClFNOS/c1-2-10-7-8-21-14(10)15(20)19-13-9-16(13,18)11-3-5-12(17)6-4-11/h3-8,13H,2,9H2,1H3,(H,19,20)
InChIKeyPMIXDYGLOSLBMR-UHFFFAOYSA-N
MW323.82 g/mol
LogP4.33
Rot. Bonds4

About N-[2-(4-chlorophenyl)-2-fluorocyclopropyl]-3-ethylthiophene-2-carboxamide

N-[2-(4-chlorophenyl)-2-fluorocyclopropyl]-3-ethylthiophene-2-carboxamide (PubChem CID 123449590) has the molecular formula C16H15ClFNOS and a molecular weight of 323.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-fluorocyclopropyl]-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-fluorocyclopropyl]-3-ethylthiophene-2-carboxamide
PubChem CID123449590
Molecular FormulaC16H15ClFNOS
Molecular Weight323.82 g/mol
Exact Mass323.05
IUPAC NameN-[2-(4-chlorophenyl)-2-fluorocyclopropyl]-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NC1CC1(F)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClFNOS/c1-2-10-7-8-21-14(10)15(20)19-13-9-16(13,18)11-3-5-12(17)6-4-11/h3-8,13H,2,9H2,1H3,(H,19,20)
InChIKeyPMIXDYGLOSLBMR-UHFFFAOYSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-fluorocyclopropyl]-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-fluorocyclopropyl]-3-ethylthiophene-2-carboxamide (CID 123449590) is N-[2-(4-chlorophenyl)-2-fluorocyclopropyl]-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-fluorocyclopropyl]-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-fluorocyclopropyl]-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)NC1CC1(F)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-fluorocyclopropyl]-3-ethylthiophene-2-carboxamide?
The InChIKey is PMIXDYGLOSLBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNOS/c1-2-10-7-8-21-14(10)15(20)19-13-9-16(13,18)11-3-5-12(17)6-4-11/h3-8,13H,2,9H2,1H3,(H,19,20).
What are the key properties of N-[2-(4-chlorophenyl)-2-fluorocyclopropyl]-3-ethylthiophene-2-carboxamide?
N-[2-(4-chlorophenyl)-2-fluorocyclopropyl]-3-ethylthiophene-2-carboxamide has a molecular weight of 323.82 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-fluorocyclopropyl]-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 123449590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).