(2-chloro-6-fluorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate

C14H11ClFNO3S — CID 954147

IUPAC(2-chloro-6-fluorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate
SMILESO=C(CNC(=O)c1cccs1)OCc1c(F)cccc1Cl
InChIInChI=1S/C14H11ClFNO3S/c15-10-3-1-4-11(16)9(10)8-20-13(18)7-17-14(19)12-5-2-6-21-12/h1-6H,7-8H2,(H,17,19)
InChIKeyAUMDSRHJLQNNTK-UHFFFAOYSA-N
MW327.76 g/mol
LogP3.01
Rot. Bonds5

About (2-chloro-6-fluorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate

(2-chloro-6-fluorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate (PubChem CID 954147) has the molecular formula C14H11ClFNO3S and a molecular weight of 327.76 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate
PubChem CID954147
Molecular FormulaC14H11ClFNO3S
Molecular Weight327.76 g/mol
Exact Mass327.01
IUPAC Name(2-chloro-6-fluorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate
SMILESO=C(CNC(=O)c1cccs1)OCc1c(F)cccc1Cl
InChIInChI=1S/C14H11ClFNO3S/c15-10-3-1-4-11(16)9(10)8-20-13(18)7-17-14(19)12-5-2-6-21-12/h1-6H,7-8H2,(H,17,19)
InChIKeyAUMDSRHJLQNNTK-UHFFFAOYSA-N
XLogP3.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.76
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate (CID 954147) is (2-chloro-6-fluorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate is O=C(CNC(=O)c1cccs1)OCc1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate?
The InChIKey is AUMDSRHJLQNNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3S/c15-10-3-1-4-11(16)9(10)8-20-13(18)7-17-14(19)12-5-2-6-21-12/h1-6H,7-8H2,(H,17,19).
What are the key properties of (2-chloro-6-fluorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate?
(2-chloro-6-fluorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate has a molecular weight of 327.76 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate is sourced from PubChem (CID 954147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).