methyl 2-[[(3,6-dichloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate

C17H21Cl2NO4 — CID 108745195

IUPACmethyl 2-[[(3,6-dichloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1CNC(=O)c1c(Cl)ccc(Cl)c1OC
InChIInChI=1S/C17H21Cl2NO4/c1-23-15-13(19)8-7-12(18)14(15)16(21)20-9-10-5-3-4-6-11(10)17(22)24-2/h7-8,10-11H,3-6,9H2,1-2H3,(H,20,21)
InChIKeyHTWNLMYCHFYPBI-UHFFFAOYSA-N
MW374.26 g/mol
LogP3.71
Rot. Bonds5

About methyl 2-[[(3,6-dichloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate

methyl 2-[[(3,6-dichloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate (PubChem CID 108745195) has the molecular formula C17H21Cl2NO4 and a molecular weight of 374.26 g/mol. Its IUPAC name is methyl 2-[[(3,6-dichloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(3,6-dichloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate
PubChem CID108745195
Molecular FormulaC17H21Cl2NO4
Molecular Weight374.26 g/mol
Exact Mass373.08
IUPAC Namemethyl 2-[[(3,6-dichloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1CNC(=O)c1c(Cl)ccc(Cl)c1OC
InChIInChI=1S/C17H21Cl2NO4/c1-23-15-13(19)8-7-12(18)14(15)16(21)20-9-10-5-3-4-6-11(10)17(22)24-2/h7-8,10-11H,3-6,9H2,1-2H3,(H,20,21)
InChIKeyHTWNLMYCHFYPBI-UHFFFAOYSA-N
XLogP3.71
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3,6-dichloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 2-[[(3,6-dichloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate (CID 108745195) is methyl 2-[[(3,6-dichloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-[[(3,6-dichloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-[[(3,6-dichloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate is COC(=O)C1CCCCC1CNC(=O)c1c(Cl)ccc(Cl)c1OC.
What is the InChIKey of methyl 2-[[(3,6-dichloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate?
The InChIKey is HTWNLMYCHFYPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2NO4/c1-23-15-13(19)8-7-12(18)14(15)16(21)20-9-10-5-3-4-6-11(10)17(22)24-2/h7-8,10-11H,3-6,9H2,1-2H3,(H,20,21).
What are the key properties of methyl 2-[[(3,6-dichloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate?
methyl 2-[[(3,6-dichloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate has a molecular weight of 374.26 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3,6-dichloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 108745195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).