methyl 4-[(4-cyclopentyloxybenzoyl)amino]-3-fluorobenzoate

C20H20FNO4 — CID 86891052

IUPACmethyl 4-[(4-cyclopentyloxybenzoyl)amino]-3-fluorobenzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(OC3CCCC3)cc2)c(F)c1
InChIInChI=1S/C20H20FNO4/c1-25-20(24)14-8-11-18(17(21)12-14)22-19(23)13-6-9-16(10-7-13)26-15-4-2-3-5-15/h6-12,15H,2-5H2,1H3,(H,22,23)
InChIKeyYWPMNYHVVRSZAP-UHFFFAOYSA-N
MW357.38 g/mol
LogP4.19
Rot. Bonds5

About methyl 4-[(4-cyclopentyloxybenzoyl)amino]-3-fluorobenzoate

methyl 4-[(4-cyclopentyloxybenzoyl)amino]-3-fluorobenzoate (PubChem CID 86891052) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is methyl 4-[(4-cyclopentyloxybenzoyl)amino]-3-fluorobenzoate.

Molecular Properties

Compound Namemethyl 4-[(4-cyclopentyloxybenzoyl)amino]-3-fluorobenzoate
PubChem CID86891052
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Namemethyl 4-[(4-cyclopentyloxybenzoyl)amino]-3-fluorobenzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(OC3CCCC3)cc2)c(F)c1
InChIInChI=1S/C20H20FNO4/c1-25-20(24)14-8-11-18(17(21)12-14)22-19(23)13-6-9-16(10-7-13)26-15-4-2-3-5-15/h6-12,15H,2-5H2,1H3,(H,22,23)
InChIKeyYWPMNYHVVRSZAP-UHFFFAOYSA-N
XLogP4.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-cyclopentyloxybenzoyl)amino]-3-fluorobenzoate?
The IUPAC name of methyl 4-[(4-cyclopentyloxybenzoyl)amino]-3-fluorobenzoate (CID 86891052) is methyl 4-[(4-cyclopentyloxybenzoyl)amino]-3-fluorobenzoate.
What is the SMILES notation for methyl 4-[(4-cyclopentyloxybenzoyl)amino]-3-fluorobenzoate?
The canonical SMILES for methyl 4-[(4-cyclopentyloxybenzoyl)amino]-3-fluorobenzoate is COC(=O)c1ccc(NC(=O)c2ccc(OC3CCCC3)cc2)c(F)c1.
What is the InChIKey of methyl 4-[(4-cyclopentyloxybenzoyl)amino]-3-fluorobenzoate?
The InChIKey is YWPMNYHVVRSZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO4/c1-25-20(24)14-8-11-18(17(21)12-14)22-19(23)13-6-9-16(10-7-13)26-15-4-2-3-5-15/h6-12,15H,2-5H2,1H3,(H,22,23).
What are the key properties of methyl 4-[(4-cyclopentyloxybenzoyl)amino]-3-fluorobenzoate?
methyl 4-[(4-cyclopentyloxybenzoyl)amino]-3-fluorobenzoate has a molecular weight of 357.38 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-cyclopentyloxybenzoyl)amino]-3-fluorobenzoate is sourced from PubChem (CID 86891052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).