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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Related Compounds

methyl 4-(cyclopropylamino)-3-fluorobenzoate
CID 139271670
4-cyclohexyloxy-N-(5,6-difluoro-1H-indol-3-yl)benzamide
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methyl 4-[(2-fluoro-4-methylphenyl)carbamoyl]benzoate
CID 26522804
methyl 4-(carbamoylamino)-3-fluorobenzoate
CID 142338466
4-(4-cyclopentyloxyphenyl)-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 166323103
4-cyclopentyloxy-N-(4-methylsulfanylphenyl)benzamide
CID 39100305
methyl 4-(cyclohexylamino)-3-[(4-phenylmethoxybenzoyl)amino]benzoate
CID 22660798
4-cyclobutyloxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide;hydrochloride
CID 120882637
4-cyclopentyloxy-N-(2-methoxyethyl)benzamide
CID 34396260
methyl 3-amino-4-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 122424116
methyl 4-[(5-chloropyridine-2-carbonyl)amino]-3-fluorobenzoate
CID 122140941
N-(4-cyclopentyloxyphenyl)-4-ethoxybenzamide
CID 36565370

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).