methyl 2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetate

C15H19ClFNO2 — CID 80709366

IUPACmethyl 2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetate
SMILESCOC(=O)CN(Cc1ccc(F)cc1Cl)C1CCCC1
InChIInChI=1S/C15H19ClFNO2/c1-20-15(19)10-18(13-4-2-3-5-13)9-11-6-7-12(17)8-14(11)16/h6-8,13H,2-5,9-10H2,1H3
InChIKeyQRBKPUPLVDAHRK-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.40
Rot. Bonds5

About methyl 2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetate

methyl 2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetate (PubChem CID 80709366) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is methyl 2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetate
PubChem CID80709366
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Namemethyl 2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetate
SMILESCOC(=O)CN(Cc1ccc(F)cc1Cl)C1CCCC1
InChIInChI=1S/C15H19ClFNO2/c1-20-15(19)10-18(13-4-2-3-5-13)9-11-6-7-12(17)8-14(11)16/h6-8,13H,2-5,9-10H2,1H3
InChIKeyQRBKPUPLVDAHRK-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-cyclopentylamino]acetate
CID 103887261
methyl 2-[cyclopentyl-[(4-fluorophenyl)methyl]amino]acetate
CID 79006293
2-[(2-chloro-4-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 60694126
methyl 2-[(5-fluoro-2-methylphenyl)methyl-(oxan-4-yl)amino]acetate
CID 91660048
N-(2-bromoethyl)-N-[(2-chloro-4-fluorophenyl)methyl]cyclobutanamine
CID 102860916
N-(2-chloroethyl)-N-[(2-chloro-4-fluorophenyl)methyl]cyclopropanamine
CID 63387646
N-(3-bromopropyl)-N-[(2-chloro-4-fluorophenyl)methyl]cyclobutanamine
CID 102860157
methyl 2-[cyclopentyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate
CID 115536709
methyl 3-[(2-chloro-4-fluorophenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78949288
methyl 2-[(2-chloro-4-fluorophenyl)methylamino]acetate
CID 28567058
2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]acetic acid
CID 55045230
N-(2-chloro-4-fluorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770040

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetate?
The IUPAC name of methyl 2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetate (CID 80709366) is methyl 2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetate.
What is the SMILES notation for methyl 2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetate?
The canonical SMILES for methyl 2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetate is COC(=O)CN(Cc1ccc(F)cc1Cl)C1CCCC1.
What is the InChIKey of methyl 2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetate?
The InChIKey is QRBKPUPLVDAHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c1-20-15(19)10-18(13-4-2-3-5-13)9-11-6-7-12(17)8-14(11)16/h6-8,13H,2-5,9-10H2,1H3.
What are the key properties of methyl 2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetate?
methyl 2-[(2-chloro-4-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-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetate is sourced from PubChem (CID 80709366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).