cyclohexylmethyl 2-amino-4-chlorobenzoate

C14H18ClNO2 — CID 63450317

IUPACcyclohexylmethyl 2-amino-4-chlorobenzoate
SMILESNc1cc(Cl)ccc1C(=O)OCC1CCCCC1
InChIInChI=1S/C14H18ClNO2/c15-11-6-7-12(13(16)8-11)14(17)18-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9,16H2
InChIKeyAOVVWGDQSRLGFD-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.66
Rot. Bonds3

About cyclohexylmethyl 2-amino-4-chlorobenzoate

cyclohexylmethyl 2-amino-4-chlorobenzoate (PubChem CID 63450317) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is cyclohexylmethyl 2-amino-4-chlorobenzoate.

Molecular Properties

Compound Namecyclohexylmethyl 2-amino-4-chlorobenzoate
PubChem CID63450317
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Namecyclohexylmethyl 2-amino-4-chlorobenzoate
SMILESNc1cc(Cl)ccc1C(=O)OCC1CCCCC1
InChIInChI=1S/C14H18ClNO2/c15-11-6-7-12(13(16)8-11)14(17)18-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9,16H2
InChIKeyAOVVWGDQSRLGFD-UHFFFAOYSA-N
XLogP3.66
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.66
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

cyclopropylmethyl 2-amino-4-chlorobenzoate
CID 28690164
cyclohexylmethyl 4-amino-2-fluorobenzoate
CID 55125027
2-O-(3-chlorophenyl) 1-O-(cyclohexylmethyl) benzene-1,2-dicarboxylate
CID 6423683
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-amino-4-chlorobenzoate
CID 7508986
cyclohexylmethyl 4-amino-3,5-dichlorobenzoate
CID 82831029
1-(2-amino-4-chlorophenyl)-2-cyclobutylethanone
CID 65458104
cyclohexylmethyl 2-amino-3-chlorobenzoate
CID 113333488
cyclohexylmethyl 3-amino-4-fluorobenzoate
CID 61322434
2-(1-methylpiperidin-2-yl)ethyl 2-amino-4-chlorobenzoate
CID 107913336
cyclopentylmethyl 4-amino-2-hydroxybenzoate
CID 66323288
cyclohexylmethyl 4-chloropyridine-2-carboxylate
CID 55032091
cyclopentylmethyl 2-chloro-5-sulfanylbenzoate
CID 107018905

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 2-amino-4-chlorobenzoate?
The IUPAC name of cyclohexylmethyl 2-amino-4-chlorobenzoate (CID 63450317) is cyclohexylmethyl 2-amino-4-chlorobenzoate.
What is the SMILES notation for cyclohexylmethyl 2-amino-4-chlorobenzoate?
The canonical SMILES for cyclohexylmethyl 2-amino-4-chlorobenzoate is Nc1cc(Cl)ccc1C(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl 2-amino-4-chlorobenzoate?
The InChIKey is AOVVWGDQSRLGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-11-6-7-12(13(16)8-11)14(17)18-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9,16H2.
What are the key properties of cyclohexylmethyl 2-amino-4-chlorobenzoate?
cyclohexylmethyl 2-amino-4-chlorobenzoate has a molecular weight of 267.76 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 2-amino-4-chlorobenzoate is sourced from PubChem (CID 63450317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).