methyl 4-(cyclopropylamino)-3-fluorobenzoate

C11H12FNO2 — CID 139271670

IUPACmethyl 4-(cyclopropylamino)-3-fluorobenzoate
SMILESCOC(=O)c1ccc(NC2CC2)c(F)c1
InChIInChI=1S/C11H12FNO2/c1-15-11(14)7-2-5-10(9(12)6-7)13-8-3-4-8/h2,5-6,8,13H,3-4H2,1H3
InChIKeyYQHXTPNAZVDWCS-UHFFFAOYSA-N
MW209.22 g/mol
LogP2.19
Rot. Bonds3

About methyl 4-(cyclopropylamino)-3-fluorobenzoate

methyl 4-(cyclopropylamino)-3-fluorobenzoate (PubChem CID 139271670) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is methyl 4-(cyclopropylamino)-3-fluorobenzoate.

Molecular Properties

Compound Namemethyl 4-(cyclopropylamino)-3-fluorobenzoate
PubChem CID139271670
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Namemethyl 4-(cyclopropylamino)-3-fluorobenzoate
SMILESCOC(=O)c1ccc(NC2CC2)c(F)c1
InChIInChI=1S/C11H12FNO2/c1-15-11(14)7-2-5-10(9(12)6-7)13-8-3-4-8/h2,5-6,8,13H,3-4H2,1H3
InChIKeyYQHXTPNAZVDWCS-UHFFFAOYSA-N
XLogP2.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(cyclopentylamino)-3-methylbenzoate
CID 43730521
methyl 4-[(4-cyclopentyloxybenzoyl)amino]-3-fluorobenzoate
CID 86891052
methyl 3-[(4-ethylcycloheptyl)amino]-4-fluorobenzoate
CID 65084484
4-(cyclobutylamino)-3-fluoro-N-methylbenzamide
CID 174641609
methyl 2-(cyclopropylamino)-5-fluorobenzoate
CID 103439096
methyl 4-(carbamoylamino)-3-fluorobenzoate
CID 142338466
methyl 3-amino-4-[(4-ethylcyclohexyl)amino]benzoate
CID 61468296
methyl 3-methyl-4-(oxepan-4-ylamino)benzoate
CID 65081947
methyl 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-4-fluorobenzoate
CID 81466913
methyl 5-amino-4-(cyclopropylamino)-2-fluorobenzoate
CID 164554287
methyl 3-[[2-(cyclopentylamino)acetyl]amino]-4-fluorobenzoate
CID 60848172
methyl 4-[(3,5-dimethylcyclohexyl)amino]-3-methylbenzoate
CID 64752950

Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclopropylamino)-3-fluorobenzoate?
The IUPAC name of methyl 4-(cyclopropylamino)-3-fluorobenzoate (CID 139271670) is methyl 4-(cyclopropylamino)-3-fluorobenzoate.
What is the SMILES notation for methyl 4-(cyclopropylamino)-3-fluorobenzoate?
The canonical SMILES for methyl 4-(cyclopropylamino)-3-fluorobenzoate is COC(=O)c1ccc(NC2CC2)c(F)c1.
What is the InChIKey of methyl 4-(cyclopropylamino)-3-fluorobenzoate?
The InChIKey is YQHXTPNAZVDWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-15-11(14)7-2-5-10(9(12)6-7)13-8-3-4-8/h2,5-6,8,13H,3-4H2,1H3.
What are the key properties of methyl 4-(cyclopropylamino)-3-fluorobenzoate?
methyl 4-(cyclopropylamino)-3-fluorobenzoate has a molecular weight of 209.22 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclopropylamino)-3-fluorobenzoate is sourced from PubChem (CID 139271670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).