methyl 2-amino-4-fluoro-5-[(2-methoxycyclopentyl)amino]benzoate

C14H19FN2O3 — CID 62087029

IUPACmethyl 2-amino-4-fluoro-5-[(2-methoxycyclopentyl)amino]benzoate
SMILESCOC(=O)c1cc(NC2CCCC2OC)c(F)cc1N
InChIInChI=1S/C14H19FN2O3/c1-19-13-5-3-4-11(13)17-12-6-8(14(18)20-2)10(16)7-9(12)15/h6-7,11,13,17H,3-5,16H2,1-2H3
InChIKeyNVEPAIMWGUIOSN-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.17
Rot. Bonds4

About methyl 2-amino-4-fluoro-5-[(2-methoxycyclopentyl)amino]benzoate

methyl 2-amino-4-fluoro-5-[(2-methoxycyclopentyl)amino]benzoate (PubChem CID 62087029) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is methyl 2-amino-4-fluoro-5-[(2-methoxycyclopentyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-4-fluoro-5-[(2-methoxycyclopentyl)amino]benzoate
PubChem CID62087029
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Namemethyl 2-amino-4-fluoro-5-[(2-methoxycyclopentyl)amino]benzoate
SMILESCOC(=O)c1cc(NC2CCCC2OC)c(F)cc1N
InChIInChI=1S/C14H19FN2O3/c1-19-13-5-3-4-11(13)17-12-6-8(14(18)20-2)10(16)7-9(12)15/h6-7,11,13,17H,3-5,16H2,1-2H3
InChIKeyNVEPAIMWGUIOSN-UHFFFAOYSA-N
XLogP2.17
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-fluoro-5-[(2-methoxycyclopentyl)amino]benzoic acid
CID 62089002
methyl 2-amino-5-[(2-methoxycyclopentyl)amino]pyridine-4-carboxylate
CID 114195046
methyl 2,3-difluoro-4-[(2-methoxycyclopentyl)amino]benzoate
CID 79837709
4-fluoro-5-[(2-methoxycyclopentyl)amino]-2-nitrobenzoic acid
CID 62087189
2,4,5-trifluoro-N-(2-methoxycyclohexyl)aniline
CID 62815537
4-chloro-2-[(2-methoxycyclopentyl)amino]benzoic acid
CID 63081988
methyl 2-amino-5-(2-cyclohexylethylamino)-4-fluorobenzoate
CID 63425766
1-N-(2-methoxycyclopentyl)-4-methylbenzene-1,2-diamine
CID 62088185
2-amino-5-fluoro-N-(2-methoxycyclopentyl)benzamide
CID 62086919
methyl 5-[(3-aminocyclohexyl)amino]-2,4-difluorobenzoate
CID 79458856
methyl 2,4-difluoro-5-[(3-methylcyclohexyl)amino]benzoate
CID 43731418
methyl 2-amino-4-fluoro-5-[[1-(trifluoromethyl)cyclopropyl]amino]benzoate
CID 106219367

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-fluoro-5-[(2-methoxycyclopentyl)amino]benzoate?
The IUPAC name of methyl 2-amino-4-fluoro-5-[(2-methoxycyclopentyl)amino]benzoate (CID 62087029) is methyl 2-amino-4-fluoro-5-[(2-methoxycyclopentyl)amino]benzoate.
What is the SMILES notation for methyl 2-amino-4-fluoro-5-[(2-methoxycyclopentyl)amino]benzoate?
The canonical SMILES for methyl 2-amino-4-fluoro-5-[(2-methoxycyclopentyl)amino]benzoate is COC(=O)c1cc(NC2CCCC2OC)c(F)cc1N.
What is the InChIKey of methyl 2-amino-4-fluoro-5-[(2-methoxycyclopentyl)amino]benzoate?
The InChIKey is NVEPAIMWGUIOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-19-13-5-3-4-11(13)17-12-6-8(14(18)20-2)10(16)7-9(12)15/h6-7,11,13,17H,3-5,16H2,1-2H3.
What are the key properties of methyl 2-amino-4-fluoro-5-[(2-methoxycyclopentyl)amino]benzoate?
methyl 2-amino-4-fluoro-5-[(2-methoxycyclopentyl)amino]benzoate has a molecular weight of 282.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-fluoro-5-[(2-methoxycyclopentyl)amino]benzoate is sourced from PubChem (CID 62087029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).