methyl 2-[(3-chloro-2-fluorophenyl)methyl-cyclopentylamino]acetate

C15H19ClFNO2 — CID 103887261

IUPACmethyl 2-[(3-chloro-2-fluorophenyl)methyl-cyclopentylamino]acetate
SMILESCOC(=O)CN(Cc1cccc(Cl)c1F)C1CCCC1
InChIInChI=1S/C15H19ClFNO2/c1-20-14(19)10-18(12-6-2-3-7-12)9-11-5-4-8-13(16)15(11)17/h4-5,8,12H,2-3,6-7,9-10H2,1H3
InChIKeyJMMXUAARALONLK-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.40
Rot. Bonds5

About methyl 2-[(3-chloro-2-fluorophenyl)methyl-cyclopentylamino]acetate

methyl 2-[(3-chloro-2-fluorophenyl)methyl-cyclopentylamino]acetate (PubChem CID 103887261) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is methyl 2-[(3-chloro-2-fluorophenyl)methyl-cyclopentylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-chloro-2-fluorophenyl)methyl-cyclopentylamino]acetate
PubChem CID103887261
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Namemethyl 2-[(3-chloro-2-fluorophenyl)methyl-cyclopentylamino]acetate
SMILESCOC(=O)CN(Cc1cccc(Cl)c1F)C1CCCC1
InChIInChI=1S/C15H19ClFNO2/c1-20-14(19)10-18(12-6-2-3-7-12)9-11-5-4-8-13(16)15(11)17/h4-5,8,12H,2-3,6-7,9-10H2,1H3
InChIKeyJMMXUAARALONLK-UHFFFAOYSA-N
XLogP3.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 103885183
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methyl 2-[cyclopentyl-[(4-fluorophenyl)methyl]amino]acetate
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2-[(3-amino-2-fluorophenyl)methyl-cyclopentylamino]acetamide
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2-[(3-chloro-2-fluorophenyl)methyl-cyclopropylamino]propanoic acid
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3-(3-chloro-2-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one
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ethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate
CID 60697155
methyl 2-[cyclopentyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate
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2-(3-chloro-2-fluorophenyl)-1-cyclohexylethanone
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2-[(3-chloro-2-fluorophenyl)methyl-ethylamino]acetic acid
CID 114489081

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-chloro-2-fluorophenyl)methyl-cyclopentylamino]acetate?
The IUPAC name of methyl 2-[(3-chloro-2-fluorophenyl)methyl-cyclopentylamino]acetate (CID 103887261) is methyl 2-[(3-chloro-2-fluorophenyl)methyl-cyclopentylamino]acetate.
What is the SMILES notation for methyl 2-[(3-chloro-2-fluorophenyl)methyl-cyclopentylamino]acetate?
The canonical SMILES for methyl 2-[(3-chloro-2-fluorophenyl)methyl-cyclopentylamino]acetate is COC(=O)CN(Cc1cccc(Cl)c1F)C1CCCC1.
What is the InChIKey of methyl 2-[(3-chloro-2-fluorophenyl)methyl-cyclopentylamino]acetate?
The InChIKey is JMMXUAARALONLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c1-20-14(19)10-18(12-6-2-3-7-12)9-11-5-4-8-13(16)15(11)17/h4-5,8,12H,2-3,6-7,9-10H2,1H3.
What are the key properties of methyl 2-[(3-chloro-2-fluorophenyl)methyl-cyclopentylamino]acetate?
methyl 2-[(3-chloro-2-fluorophenyl)methyl-cyclopentylamino]acetate has a molecular weight of 299.77 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-chloro-2-fluorophenyl)methyl-cyclopentylamino]acetate is sourced from PubChem (CID 103887261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).