methyl 2-(4-fluoroanilino)cyclopentane-1-carboxylate

C13H16FNO2 — CID 71117303

IUPACmethyl 2-(4-fluoroanilino)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1Nc1ccc(F)cc1
InChIInChI=1S/C13H16FNO2/c1-17-13(16)11-3-2-4-12(11)15-10-7-5-9(14)6-8-10/h5-8,11-12,15H,2-4H2,1H3
InChIKeyWLMXZGWEDLUMTC-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.58
Rot. Bonds3

About methyl 2-(4-fluoroanilino)cyclopentane-1-carboxylate

methyl 2-(4-fluoroanilino)cyclopentane-1-carboxylate (PubChem CID 71117303) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is methyl 2-(4-fluoroanilino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluoroanilino)cyclopentane-1-carboxylate
PubChem CID71117303
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Namemethyl 2-(4-fluoroanilino)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1Nc1ccc(F)cc1
InChIInChI=1S/C13H16FNO2/c1-17-13(16)11-3-2-4-12(11)15-10-7-5-9(14)6-8-10/h5-8,11-12,15H,2-4H2,1H3
InChIKeyWLMXZGWEDLUMTC-UHFFFAOYSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-methyl (1R,2S)-2-(4-fluoroanilino)cyclopentane-1-carboxylate
CID 71117304
4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
CID 96923123
carbon dioxide;2-ethylcyclopentan-1-one;ethyl 2-(4-fluoroanilino)cyclopentane-1-carboxylate;4-fluoroaniline;zinc
CID 157117517
methyl 2-[[[4-(4-fluoroanilino)-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylate
CID 108767543
2-(4-hydroxyanilino)cyclopentane-1-carboxylic acid
CID 84724767
2-(4-carbamoylanilino)cyclopentane-1-carboxylic acid
CID 64817627
trans-ethyl (1S,2S)-2-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylate
CID 66658187
trans-(1R,2R)-2-(4-fluoroanilino)cyclobutan-1-ol
CID 131701479
cis-methyl (1R,2S)-2-[[2-(2-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 97028755
2-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670661
tert-butyl N-[[2-(4-fluoroanilino)cyclohexyl]methyl]carbamate
CID 103695365
[(1R,2R)-2-(4-methoxyanilino)cyclohexyl]-piperidin-1-ylmethanone
CID 125474268

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluoroanilino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(4-fluoroanilino)cyclopentane-1-carboxylate (CID 71117303) is methyl 2-(4-fluoroanilino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(4-fluoroanilino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(4-fluoroanilino)cyclopentane-1-carboxylate is COC(=O)C1CCCC1Nc1ccc(F)cc1.
What is the InChIKey of methyl 2-(4-fluoroanilino)cyclopentane-1-carboxylate?
The InChIKey is WLMXZGWEDLUMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-17-13(16)11-3-2-4-12(11)15-10-7-5-9(14)6-8-10/h5-8,11-12,15H,2-4H2,1H3.
What are the key properties of methyl 2-(4-fluoroanilino)cyclopentane-1-carboxylate?
methyl 2-(4-fluoroanilino)cyclopentane-1-carboxylate has a molecular weight of 237.27 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluoroanilino)cyclopentane-1-carboxylate is sourced from PubChem (CID 71117303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).