(2-chloro-6-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate

C15H13ClFNO3S — CID 2467460

IUPAC(2-chloro-6-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCc2c(F)cccc2Cl)s1
InChIInChI=1S/C15H13ClFNO3S/c1-9-5-6-13(22-9)15(20)18-7-14(19)21-8-10-11(16)3-2-4-12(10)17/h2-6H,7-8H2,1H3,(H,18,20)
InChIKeyLGWGUYFXGRUFTD-UHFFFAOYSA-N
MW341.79 g/mol
LogP3.32
Rot. Bonds5

About (2-chloro-6-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate

(2-chloro-6-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate (PubChem CID 2467460) has the molecular formula C15H13ClFNO3S and a molecular weight of 341.79 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
PubChem CID2467460
Molecular FormulaC15H13ClFNO3S
Molecular Weight341.79 g/mol
Exact Mass341.03
IUPAC Name(2-chloro-6-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCc2c(F)cccc2Cl)s1
InChIInChI=1S/C15H13ClFNO3S/c1-9-5-6-13(22-9)15(20)18-7-14(19)21-8-10-11(16)3-2-4-12(10)17/h2-6H,7-8H2,1H3,(H,18,20)
InChIKeyLGWGUYFXGRUFTD-UHFFFAOYSA-N
XLogP3.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 755838
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CID 2428702
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CID 2481084
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CID 24819879
CID 24819879
CID 1619220
CID 1619220
CID 3158551
CID 3158551
CID 3158554
CID 3158554
CID 894944
CID 894944
CID 954147
CID 954147
CID 2364548
CID 2364548
CID 9270646
CID 9270646
CID 9364149
CID 9364149

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate (CID 2467460) is (2-chloro-6-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate is Cc1ccc(C(=O)NCC(=O)OCc2c(F)cccc2Cl)s1.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The InChIKey is LGWGUYFXGRUFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3S/c1-9-5-6-13(22-9)15(20)18-7-14(19)21-8-10-11(16)3-2-4-12(10)17/h2-6H,7-8H2,1H3,(H,18,20).
What are the key properties of (2-chloro-6-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
(2-chloro-6-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate has a molecular weight of 341.79 g/mol, XLogP of 3.32, 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-[(5-methylthiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 2467460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).