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

C17H25ClN2O3 — CID 103719625

IUPACtert-butyl N-[3-(5-chloro-2-methoxyanilino)cyclopentyl]carbamate
SMILESCOc1ccc(Cl)cc1NC1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H25ClN2O3/c1-17(2,3)23-16(21)20-13-7-6-12(10-13)19-14-9-11(18)5-8-15(14)22-4/h5,8-9,12-13,19H,6-7,10H2,1-4H3,(H,20,21)
InChIKeyNQTMZXRNWGSPOZ-UHFFFAOYSA-N
MW340.85 g/mol
LogP4.21
Rot. Bonds4

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

tert-butyl N-[3-(5-chloro-2-methoxyanilino)cyclopentyl]carbamate (PubChem CID 103719625) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is tert-butyl N-[3-(5-chloro-2-methoxyanilino)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(5-chloro-2-methoxyanilino)cyclopentyl]carbamate
PubChem CID103719625
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Nametert-butyl N-[3-(5-chloro-2-methoxyanilino)cyclopentyl]carbamate
SMILESCOc1ccc(Cl)cc1NC1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H25ClN2O3/c1-17(2,3)23-16(21)20-13-7-6-12(10-13)19-14-9-11(18)5-8-15(14)22-4/h5,8-9,12-13,19H,6-7,10H2,1-4H3,(H,20,21)
InChIKeyNQTMZXRNWGSPOZ-UHFFFAOYSA-N
XLogP4.21
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(4-chloro-2,5-dimethoxyanilino)cyclopentyl]carbamate
CID 113247793
tert-butyl N-[3-(2-chloro-5-fluoroanilino)cyclopentyl]carbamate
CID 107527251
tert-butyl N-[3-(4-fluoro-2-methoxyanilino)cyclobutyl]carbamate
CID 103759599
benzyl N-[3-(5-chloro-2-methoxyanilino)cyclobutyl]carbamate
CID 103392787
tert-butyl N-[(1R)-3-(2-bromo-4-methylanilino)cyclopentyl]carbamate
CID 129193732
tert-butyl N-[3-(5-bromo-2-chloroanilino)cyclohexyl]carbamate
CID 103720210
tert-butyl N-[3-[(2-methoxyphenyl)methylamino]cyclopentyl]carbamate
CID 103719601
tert-butyl N-[3-(2-propan-2-ylanilino)cyclopentyl]carbamate
CID 103719611
tert-butyl N-[3-(2-fluoro-4-methylanilino)cyclohexyl]carbamate
CID 103720068
N'-(5-chloro-2-methoxyphenyl)-N-cyclopropyloxamide
CID 2194402
tert-butyl N-[3-(3-bromo-2-methylanilino)cyclopentyl]carbamate
CID 107629946
6-chloro-4-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyridine-3-carboxylic acid
CID 166590618

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(5-chloro-2-methoxyanilino)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-(5-chloro-2-methoxyanilino)cyclopentyl]carbamate (CID 103719625) is tert-butyl N-[3-(5-chloro-2-methoxyanilino)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(5-chloro-2-methoxyanilino)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(5-chloro-2-methoxyanilino)cyclopentyl]carbamate is COc1ccc(Cl)cc1NC1CCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(5-chloro-2-methoxyanilino)cyclopentyl]carbamate?
The InChIKey is NQTMZXRNWGSPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-17(2,3)23-16(21)20-13-7-6-12(10-13)19-14-9-11(18)5-8-15(14)22-4/h5,8-9,12-13,19H,6-7,10H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[3-(5-chloro-2-methoxyanilino)cyclopentyl]carbamate?
tert-butyl N-[3-(5-chloro-2-methoxyanilino)cyclopentyl]carbamate has a molecular weight of 340.85 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(5-chloro-2-methoxyanilino)cyclopentyl]carbamate is sourced from PubChem (CID 103719625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).