methyl 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-5-fluorobenzoate

C15H13ClFNO2S — CID 81234261

IUPACmethyl 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-5-fluorobenzoate
SMILESCOC(=O)c1cc(F)ccc1NC1CCc2sc(Cl)cc21
InChIInChI=1S/C15H13ClFNO2S/c1-20-15(19)10-6-8(17)2-3-12(10)18-11-4-5-13-9(11)7-14(16)21-13/h2-3,6-7,11,18H,4-5H2,1H3
InChIKeyFGMCHPWRQRHMLY-UHFFFAOYSA-N
MW325.79 g/mol
LogP4.43
Rot. Bonds3

About methyl 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-5-fluorobenzoate

methyl 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-5-fluorobenzoate (PubChem CID 81234261) has the molecular formula C15H13ClFNO2S and a molecular weight of 325.79 g/mol. Its IUPAC name is methyl 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-5-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-5-fluorobenzoate
PubChem CID81234261
Molecular FormulaC15H13ClFNO2S
Molecular Weight325.79 g/mol
Exact Mass325.03
IUPAC Namemethyl 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-5-fluorobenzoate
SMILESCOC(=O)c1cc(F)ccc1NC1CCc2sc(Cl)cc21
InChIInChI=1S/C15H13ClFNO2S/c1-20-15(19)10-6-8(17)2-3-12(10)18-11-4-5-13-9(11)7-14(16)21-13/h2-3,6-7,11,18H,4-5H2,1H3
InChIKeyFGMCHPWRQRHMLY-UHFFFAOYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-5-fluorobenzoate with MolForge

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Related Compounds

methyl 2-(cyclopropylamino)-5-fluorobenzoate
CID 103439096
methyl 5-fluoro-2-(oxan-4-ylamino)benzoate
CID 43735443
methyl 2-[(3,4-dimethylcyclohexyl)amino]-5-fluorobenzoate
CID 64744221
3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-4-methylbenzoic acid
CID 81251511
methyl 4-fluoro-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzoate
CID 62841436
methyl 5-fluoro-2-[(2,4,4-trimethylcyclopentyl)amino]benzoate
CID 106662137
2-chloro-N-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 82706025
2-chloro-N-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 114837645
2-chloro-N-(2,4-dibromophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251839
N-(4-bromo-2-chlorophenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251718
2-chloro-N-(2-fluoro-5-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82690514
methyl 2-[(1-benzylpyrrolidin-3-yl)amino]-5-fluorobenzoate
CID 113223887

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-5-fluorobenzoate?
The IUPAC name of methyl 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-5-fluorobenzoate (CID 81234261) is methyl 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-5-fluorobenzoate.
What is the SMILES notation for methyl 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-5-fluorobenzoate?
The canonical SMILES for methyl 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-5-fluorobenzoate is COC(=O)c1cc(F)ccc1NC1CCc2sc(Cl)cc21.
What is the InChIKey of methyl 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-5-fluorobenzoate?
The InChIKey is FGMCHPWRQRHMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2S/c1-20-15(19)10-6-8(17)2-3-12(10)18-11-4-5-13-9(11)7-14(16)21-13/h2-3,6-7,11,18H,4-5H2,1H3.
What are the key properties of methyl 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-5-fluorobenzoate?
methyl 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-5-fluorobenzoate has a molecular weight of 325.79 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-5-fluorobenzoate is sourced from PubChem (CID 81234261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).