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Cyclohexyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate

C21H22ClNO4 — CID 17128661

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACcyclohexyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1
InChIInChI=1S/C21H22ClNO4/c1-26-19-12-9-15(22)13-18(19)20(24)23-16-10-7-14(8-11-16)21(25)27-17-5-3-2-4-6-17/h7-13,17H,2-6H2,1H3,(H,23,24)
InChIKeyYSHMRUIHLUXIJW-UHFFFAOYSA-N
MW387.86 g/mol
LogP5.09
Rot. Bonds5

About Cyclohexyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate

Cyclohexyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate (PubChem CID 17128661) has the molecular formula C21H22ClNO4 and a molecular weight of 387.86 g/mol. Its IUPAC name is cyclohexyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate.

Molecular Properties

Compound NameCyclohexyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate
PubChem CID17128661
Molecular FormulaC21H22ClNO4
Molecular Weight387.86 g/mol
Exact Mass387.12
IUPAC Namecyclohexyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1
InChIInChI=1S/C21H22ClNO4/c1-26-19-12-9-15(22)13-18(19)20(24)23-16-10-7-14(8-11-16)21(25)27-17-5-3-2-4-6-17/h7-13,17H,2-6H2,1H3,(H,23,24)
InChIKeyYSHMRUIHLUXIJW-UHFFFAOYSA-N
XLogP5.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.86
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Cyclohexyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate?
The IUPAC name of Cyclohexyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate (CID 17128661) is cyclohexyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate.
What is the SMILES notation for Cyclohexyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate?
The canonical SMILES for Cyclohexyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate is COc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1.
What is the InChIKey of Cyclohexyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate?
The InChIKey is YSHMRUIHLUXIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO4/c1-26-19-12-9-15(22)13-18(19)20(24)23-16-10-7-14(8-11-16)21(25)27-17-5-3-2-4-6-17/h7-13,17H,2-6H2,1H3,(H,23,24).
What are the key properties of Cyclohexyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate?
Cyclohexyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate has a molecular weight of 387.86 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Cyclohexyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate is sourced from PubChem (CID 17128661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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