tert-butyl N-[[2-(3-fluoro-4-hydroxyanilino)cyclopentyl]methyl]carbamate

C17H25FN2O3 — CID 103695824

IUPACtert-butyl N-[[2-(3-fluoro-4-hydroxyanilino)cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1Nc1ccc(O)c(F)c1
InChIInChI=1S/C17H25FN2O3/c1-17(2,3)23-16(22)19-10-11-5-4-6-14(11)20-12-7-8-15(21)13(18)9-12/h7-9,11,14,20-21H,4-6,10H2,1-3H3,(H,19,22)
InChIKeyRMAITYMCFISQEA-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.64
Rot. Bonds4

About tert-butyl N-[[2-(3-fluoro-4-hydroxyanilino)cyclopentyl]methyl]carbamate

tert-butyl N-[[2-(3-fluoro-4-hydroxyanilino)cyclopentyl]methyl]carbamate (PubChem CID 103695824) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is tert-butyl N-[[2-(3-fluoro-4-hydroxyanilino)cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(3-fluoro-4-hydroxyanilino)cyclopentyl]methyl]carbamate
PubChem CID103695824
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Nametert-butyl N-[[2-(3-fluoro-4-hydroxyanilino)cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1Nc1ccc(O)c(F)c1
InChIInChI=1S/C17H25FN2O3/c1-17(2,3)23-16(22)19-10-11-5-4-6-14(11)20-12-7-8-15(21)13(18)9-12/h7-9,11,14,20-21H,4-6,10H2,1-3H3,(H,19,22)
InChIKeyRMAITYMCFISQEA-UHFFFAOYSA-N
XLogP3.64
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[2-(4-fluoroanilino)cyclohexyl]methyl]carbamate
CID 103695365
tert-butyl N-[[2-(4-iodoanilino)cyclopentyl]methyl]carbamate
CID 103695645
tert-butyl N-[[2-(2,5-difluoroanilino)cyclopentyl]methyl]carbamate
CID 103695556
tert-butyl N-[[2-(2-fluoroanilino)cyclohexyl]methyl]carbamate
CID 103695367
tert-butyl N-[[2-(4-bromo-3-nitroanilino)cyclopentyl]methyl]carbamate
CID 113250545
tert-butyl N-[[2-(2-bromo-4-fluoroanilino)cyclopentyl]methyl]carbamate
CID 103695639
tert-butyl N-[[2-(4-fluoro-2-iodoanilino)cyclopentyl]methyl]carbamate
CID 103731044
tert-butyl N-[[2-(4-fluoro-2-methoxyanilino)cyclohexyl]methyl]carbamate
CID 113242207
tert-butyl N-[[2-(2,6-dibromoanilino)cyclopentyl]methyl]carbamate
CID 107597176
tert-butyl N-[[2-(2-iodoanilino)cyclopentyl]methyl]carbamate
CID 103695647
tert-butyl N-[[2-(2-chloroanilino)cyclopentyl]methyl]carbamate
CID 103695578
tert-butyl N-[4-[[2-(aminomethyl)cyclopentyl]amino]phenyl]carbamate
CID 107240491

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(3-fluoro-4-hydroxyanilino)cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(3-fluoro-4-hydroxyanilino)cyclopentyl]methyl]carbamate (CID 103695824) is tert-butyl N-[[2-(3-fluoro-4-hydroxyanilino)cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(3-fluoro-4-hydroxyanilino)cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(3-fluoro-4-hydroxyanilino)cyclopentyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCC1Nc1ccc(O)c(F)c1.
What is the InChIKey of tert-butyl N-[[2-(3-fluoro-4-hydroxyanilino)cyclopentyl]methyl]carbamate?
The InChIKey is RMAITYMCFISQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-17(2,3)23-16(22)19-10-11-5-4-6-14(11)20-12-7-8-15(21)13(18)9-12/h7-9,11,14,20-21H,4-6,10H2,1-3H3,(H,19,22).
What are the key properties of tert-butyl N-[[2-(3-fluoro-4-hydroxyanilino)cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-(3-fluoro-4-hydroxyanilino)cyclopentyl]methyl]carbamate has a molecular weight of 324.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(3-fluoro-4-hydroxyanilino)cyclopentyl]methyl]carbamate is sourced from PubChem (CID 103695824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).