(2-bromo-4-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate

C15H13BrFNO3S — CID 18270512

IUPAC(2-bromo-4-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCc2ccc(F)cc2Br)s1
InChIInChI=1S/C15H13BrFNO3S/c1-9-2-5-13(22-9)15(20)18-7-14(19)21-8-10-3-4-11(17)6-12(10)16/h2-6H,7-8H2,1H3,(H,18,20)
InChIKeyFFMBWZGHMZFNPC-UHFFFAOYSA-N
MW386.24 g/mol
LogP3.43
Rot. Bonds5

About (2-bromo-4-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate

(2-bromo-4-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate (PubChem CID 18270512) has the molecular formula C15H13BrFNO3S and a molecular weight of 386.24 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
PubChem CID18270512
Molecular FormulaC15H13BrFNO3S
Molecular Weight386.24 g/mol
Exact Mass384.98
IUPAC Name(2-bromo-4-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCc2ccc(F)cc2Br)s1
InChIInChI=1S/C15H13BrFNO3S/c1-9-2-5-13(22-9)15(20)18-7-14(19)21-8-10-3-4-11(17)6-12(10)16/h2-6H,7-8H2,1H3,(H,18,20)
InChIKeyFFMBWZGHMZFNPC-UHFFFAOYSA-N
XLogP3.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.24
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 18285612
N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 31458228
ethyl 2-[(2-bromo-5-fluorobenzoyl)amino]acetate
CID 47257275
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 4036905
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 34306220
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 31142462
N-(4-fluoro-2-methylphenyl)-5-methylthiophene-2-carboxamide
CID 2550682
[(2S)-4-methylpentan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 97006868
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 2578701
(2-oxo-2-piperidin-1-ylethyl) 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 35726305
methyl 3-(2-bromo-4-fluorophenyl)propanoate
CID 12047938
[4-(2-cyanophenyl)phenyl]methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 55512405

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The IUPAC name of (2-bromo-4-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate (CID 18270512) is (2-bromo-4-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for (2-bromo-4-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The canonical SMILES for (2-bromo-4-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate is Cc1ccc(C(=O)NCC(=O)OCc2ccc(F)cc2Br)s1.
What is the InChIKey of (2-bromo-4-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The InChIKey is FFMBWZGHMZFNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO3S/c1-9-2-5-13(22-9)15(20)18-7-14(19)21-8-10-3-4-11(17)6-12(10)16/h2-6H,7-8H2,1H3,(H,18,20).
What are the key properties of (2-bromo-4-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
(2-bromo-4-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate has a molecular weight of 386.24 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 18270512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).