methyl 2-chloro-5-(cyclopentylamino)benzoate

C13H16ClNO2 — CID 43672677

IUPACmethyl 2-chloro-5-(cyclopentylamino)benzoate
SMILESCOC(=O)c1cc(NC2CCCC2)ccc1Cl
InChIInChI=1S/C13H16ClNO2/c1-17-13(16)11-8-10(6-7-12(11)14)15-9-4-2-3-5-9/h6-9,15H,2-5H2,1H3
InChIKeyVOZYOVLGLGFCTN-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.48
Rot. Bonds3

About methyl 2-chloro-5-(cyclopentylamino)benzoate

methyl 2-chloro-5-(cyclopentylamino)benzoate (PubChem CID 43672677) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is methyl 2-chloro-5-(cyclopentylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-(cyclopentylamino)benzoate
PubChem CID43672677
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Namemethyl 2-chloro-5-(cyclopentylamino)benzoate
SMILESCOC(=O)c1cc(NC2CCCC2)ccc1Cl
InChIInChI=1S/C13H16ClNO2/c1-17-13(16)11-8-10(6-7-12(11)14)15-9-4-2-3-5-9/h6-9,15H,2-5H2,1H3
InChIKeyVOZYOVLGLGFCTN-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-5-(cycloheptylamino)benzoate
CID 61305877
2-chloro-5-(cyclohexylamino)benzoic acid
CID 43736277
methyl 2-chloro-5-(cyclopentylsulfamoylamino)benzoate
CID 110626545
methyl 2-chloro-5-(cycloheptylcarbamothioylamino)benzoate
CID 100601603
methyl 2-chloro-5-[(1-prop-2-ynylpiperidin-4-yl)amino]benzoate
CID 43778965
methyl 2-chloro-5-[(3,3,5-trimethylcyclohexyl)amino]benzoate
CID 43672724
methyl 2-amino-5-(cyclopropylamino)benzoate
CID 61311715
2-chloro-4-(cyclopentylamino)benzamide
CID 43736418
methyl 3-chloro-2-(cyclohexylamino)benzoate
CID 643290
methyl 2-chloro-5-(piperidin-2-ylmethylamino)benzoate
CID 106633173
methyl 2-chloro-5-[[(2-chloropyrimidin-4-yl)-cyclopentylmethyl]amino]benzoate
CID 90000811
methyl 2-fluoro-5-[(4-hydroxycyclohexyl)amino]benzoate
CID 106593918

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-(cyclopentylamino)benzoate?
The IUPAC name of methyl 2-chloro-5-(cyclopentylamino)benzoate (CID 43672677) is methyl 2-chloro-5-(cyclopentylamino)benzoate.
What is the SMILES notation for methyl 2-chloro-5-(cyclopentylamino)benzoate?
The canonical SMILES for methyl 2-chloro-5-(cyclopentylamino)benzoate is COC(=O)c1cc(NC2CCCC2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-(cyclopentylamino)benzoate?
The InChIKey is VOZYOVLGLGFCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-17-13(16)11-8-10(6-7-12(11)14)15-9-4-2-3-5-9/h6-9,15H,2-5H2,1H3.
What are the key properties of methyl 2-chloro-5-(cyclopentylamino)benzoate?
methyl 2-chloro-5-(cyclopentylamino)benzoate has a molecular weight of 253.73 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-(cyclopentylamino)benzoate is sourced from PubChem (CID 43672677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).