cyclohexylmethyl 4-amino-3,5-dichlorobenzoate

C14H17Cl2NO2 — CID 82831029

IUPACcyclohexylmethyl 4-amino-3,5-dichlorobenzoate
SMILESNc1c(Cl)cc(C(=O)OCC2CCCCC2)cc1Cl
InChIInChI=1S/C14H17Cl2NO2/c15-11-6-10(7-12(16)13(11)17)14(18)19-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8,17H2
InChIKeyBAEOGEMAHZLHLL-UHFFFAOYSA-N
MW302.20 g/mol
LogP4.31
Rot. Bonds3

About cyclohexylmethyl 4-amino-3,5-dichlorobenzoate

cyclohexylmethyl 4-amino-3,5-dichlorobenzoate (PubChem CID 82831029) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is cyclohexylmethyl 4-amino-3,5-dichlorobenzoate.

Molecular Properties

Compound Namecyclohexylmethyl 4-amino-3,5-dichlorobenzoate
PubChem CID82831029
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Namecyclohexylmethyl 4-amino-3,5-dichlorobenzoate
SMILESNc1c(Cl)cc(C(=O)OCC2CCCCC2)cc1Cl
InChIInChI=1S/C14H17Cl2NO2/c15-11-6-10(7-12(16)13(11)17)14(18)19-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8,17H2
InChIKeyBAEOGEMAHZLHLL-UHFFFAOYSA-N
XLogP4.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclohexylmethyl 2,6-dichloropyridine-4-carboxylate
CID 60716775
cyclohexylmethyl 2-amino-3-chlorobenzoate
CID 113333488
cyclopentylmethyl 4-bromo-3-chloro-5-sulfamoylbenzoate
CID 81292391
cyclohexylmethyl 2-amino-4-chlorobenzoate
CID 63450317
cyclopentylmethyl 2-chloro-5-sulfanylbenzoate
CID 107018905
cyclohexylmethyl 3-amino-4-fluorobenzoate
CID 61322434
cyclopentylmethyl 2-amino-6-chlorobenzoate
CID 63660959
(3-methylcyclopentyl)methyl 3-chloro-4,5-dihydroxybenzoate
CID 123323960
cyclohexylmethyl 4-amino-2-fluorobenzoate
CID 55125027
cycloheptylmethyl 2-bromopyridine-4-carboxylate
CID 114249026
cyclohexylmethyl 2-(aminomethyl)pyridine-4-carboxylate
CID 113277656
cyclohexylmethyl 4-chloropyridine-2-carboxylate
CID 55032091

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 4-amino-3,5-dichlorobenzoate?
The IUPAC name of cyclohexylmethyl 4-amino-3,5-dichlorobenzoate (CID 82831029) is cyclohexylmethyl 4-amino-3,5-dichlorobenzoate.
What is the SMILES notation for cyclohexylmethyl 4-amino-3,5-dichlorobenzoate?
The canonical SMILES for cyclohexylmethyl 4-amino-3,5-dichlorobenzoate is Nc1c(Cl)cc(C(=O)OCC2CCCCC2)cc1Cl.
What is the InChIKey of cyclohexylmethyl 4-amino-3,5-dichlorobenzoate?
The InChIKey is BAEOGEMAHZLHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c15-11-6-10(7-12(16)13(11)17)14(18)19-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8,17H2.
What are the key properties of cyclohexylmethyl 4-amino-3,5-dichlorobenzoate?
cyclohexylmethyl 4-amino-3,5-dichlorobenzoate has a molecular weight of 302.20 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 4-amino-3,5-dichlorobenzoate is sourced from PubChem (CID 82831029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).