tert-butyl N-[3-(2-chloro-5-fluoroanilino)cyclopentyl]carbamate

C16H22ClFN2O2 — CID 107527251

IUPACtert-butyl N-[3-(2-chloro-5-fluoroanilino)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(Nc2cc(F)ccc2Cl)C1
InChIInChI=1S/C16H22ClFN2O2/c1-16(2,3)22-15(21)20-12-6-5-11(9-12)19-14-8-10(18)4-7-13(14)17/h4,7-8,11-12,19H,5-6,9H2,1-3H3,(H,20,21)
InChIKeyVUYGYOMNMWOYFS-UHFFFAOYSA-N
MW328.82 g/mol
LogP4.34
Rot. Bonds3

About tert-butyl N-[3-(2-chloro-5-fluoroanilino)cyclopentyl]carbamate

tert-butyl N-[3-(2-chloro-5-fluoroanilino)cyclopentyl]carbamate (PubChem CID 107527251) has the molecular formula C16H22ClFN2O2 and a molecular weight of 328.82 g/mol. Its IUPAC name is tert-butyl N-[3-(2-chloro-5-fluoroanilino)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-chloro-5-fluoroanilino)cyclopentyl]carbamate
PubChem CID107527251
Molecular FormulaC16H22ClFN2O2
Molecular Weight328.82 g/mol
Exact Mass328.14
IUPAC Nametert-butyl N-[3-(2-chloro-5-fluoroanilino)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(Nc2cc(F)ccc2Cl)C1
InChIInChI=1S/C16H22ClFN2O2/c1-16(2,3)22-15(21)20-12-6-5-11(9-12)19-14-8-10(18)4-7-13(14)17/h4,7-8,11-12,19H,5-6,9H2,1-3H3,(H,20,21)
InChIKeyVUYGYOMNMWOYFS-UHFFFAOYSA-N
XLogP4.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(5-bromo-2-chloroanilino)cyclohexyl]carbamate
CID 103720210
tert-butyl N-[3-(5-fluoro-2-methylanilino)cyclobutyl]carbamate
CID 80559248
tert-butyl N-[3-(5-fluoro-2-nitroanilino)cyclohexyl]carbamate
CID 113268191
tert-butyl N-[3-(2-chloro-5-cyanoanilino)cyclobutyl]carbamate
CID 103759680
tert-butyl N-[3-(4-chloro-2,5-dimethoxyanilino)cyclopentyl]carbamate
CID 113247793
tert-butyl N-[3-(4-fluoro-2-methoxyanilino)cyclobutyl]carbamate
CID 103759599
tert-butyl N-[3-(5-chloro-2-methoxyanilino)cyclopentyl]carbamate
CID 103719625
tert-butyl N-[4-fluoro-2-[(4-hydroxycyclohexyl)amino]phenyl]carbamate
CID 107240717
tert-butyl N-[4-(3-chloro-2-fluoroanilino)cyclohexyl]carbamate
CID 103715400
tert-butyl N-[3-(2-fluoro-4-methylanilino)cyclohexyl]carbamate
CID 103720068
tert-butyl N-[(1R)-3-(2-bromo-4-methylanilino)cyclopentyl]carbamate
CID 129193732
tert-butyl N-[3-(3,4-dichloroanilino)cyclobutyl]carbamate
CID 80559110

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-chloro-5-fluoroanilino)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-chloro-5-fluoroanilino)cyclopentyl]carbamate (CID 107527251) is tert-butyl N-[3-(2-chloro-5-fluoroanilino)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-chloro-5-fluoroanilino)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-chloro-5-fluoroanilino)cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCC(Nc2cc(F)ccc2Cl)C1.
What is the InChIKey of tert-butyl N-[3-(2-chloro-5-fluoroanilino)cyclopentyl]carbamate?
The InChIKey is VUYGYOMNMWOYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O2/c1-16(2,3)22-15(21)20-12-6-5-11(9-12)19-14-8-10(18)4-7-13(14)17/h4,7-8,11-12,19H,5-6,9H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[3-(2-chloro-5-fluoroanilino)cyclopentyl]carbamate?
tert-butyl N-[3-(2-chloro-5-fluoroanilino)cyclopentyl]carbamate has a molecular weight of 328.82 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-chloro-5-fluoroanilino)cyclopentyl]carbamate is sourced from PubChem (CID 107527251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).