ethyl 5-amino-3-chloro-2-[cyclopentyl(methyl)amino]benzoate

C15H21ClN2O2 — CID 107193832

IUPACethyl 5-amino-3-chloro-2-[cyclopentyl(methyl)amino]benzoate
SMILESCCOC(=O)c1cc(N)cc(Cl)c1N(C)C1CCCC1
InChIInChI=1S/C15H21ClN2O2/c1-3-20-15(19)12-8-10(17)9-13(16)14(12)18(2)11-6-4-5-7-11/h8-9,11H,3-7,17H2,1-2H3
InChIKeyFEIDIDXTKMROME-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.48
Rot. Bonds4

About ethyl 5-amino-3-chloro-2-[cyclopentyl(methyl)amino]benzoate

ethyl 5-amino-3-chloro-2-[cyclopentyl(methyl)amino]benzoate (PubChem CID 107193832) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is ethyl 5-amino-3-chloro-2-[cyclopentyl(methyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 5-amino-3-chloro-2-[cyclopentyl(methyl)amino]benzoate
PubChem CID107193832
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Nameethyl 5-amino-3-chloro-2-[cyclopentyl(methyl)amino]benzoate
SMILESCCOC(=O)c1cc(N)cc(Cl)c1N(C)C1CCCC1
InChIInChI=1S/C15H21ClN2O2/c1-3-20-15(19)12-8-10(17)9-13(16)14(12)18(2)11-6-4-5-7-11/h8-9,11H,3-7,17H2,1-2H3
InChIKeyFEIDIDXTKMROME-UHFFFAOYSA-N
XLogP3.48
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-amino-3-chloro-2-[cyclohexyl(methyl)amino]benzoate
CID 107193117
ethyl 5-amino-3-chloro-2-[cyclobutylmethyl(methyl)amino]benzoate
CID 107195714
methyl 5-amino-3-chloro-2-[methyl-(4-methylcyclohexyl)amino]benzoate
CID 107194657
2,6-dichloro-1-N-cyclohexyl-1-N-methylbenzene-1,4-diamine
CID 91681222
ethyl 5-amino-3-chloro-2-cycloheptyloxybenzoate
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ethyl 5-amino-3-chloro-2-[3-hydroxypropyl(methyl)amino]benzoate
CID 114230681
ethyl 3-amino-2-[cyclohexyl(methyl)amino]benzoate
CID 115933967
ethyl 5-amino-3-chloro-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]benzoate
CID 107196709
5-amino-3-chloro-2-[methyl-(4-methylcyclohexyl)amino]benzamide
CID 107194659
ethyl 2-amino-5-[cyclohexyl(methyl)amino]benzoate
CID 61305640
ethyl 5-amino-3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]benzoate
CID 107195377
ethyl 5-amino-3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoate
CID 107198297

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-3-chloro-2-[cyclopentyl(methyl)amino]benzoate?
The IUPAC name of ethyl 5-amino-3-chloro-2-[cyclopentyl(methyl)amino]benzoate (CID 107193832) is ethyl 5-amino-3-chloro-2-[cyclopentyl(methyl)amino]benzoate.
What is the SMILES notation for ethyl 5-amino-3-chloro-2-[cyclopentyl(methyl)amino]benzoate?
The canonical SMILES for ethyl 5-amino-3-chloro-2-[cyclopentyl(methyl)amino]benzoate is CCOC(=O)c1cc(N)cc(Cl)c1N(C)C1CCCC1.
What is the InChIKey of ethyl 5-amino-3-chloro-2-[cyclopentyl(methyl)amino]benzoate?
The InChIKey is FEIDIDXTKMROME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-3-20-15(19)12-8-10(17)9-13(16)14(12)18(2)11-6-4-5-7-11/h8-9,11H,3-7,17H2,1-2H3.
What are the key properties of ethyl 5-amino-3-chloro-2-[cyclopentyl(methyl)amino]benzoate?
ethyl 5-amino-3-chloro-2-[cyclopentyl(methyl)amino]benzoate has a molecular weight of 296.80 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-3-chloro-2-[cyclopentyl(methyl)amino]benzoate is sourced from PubChem (CID 107193832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).