(1-aminocyclopentyl)methyl N-(2,5-dichlorophenyl)carbamate

C13H16Cl2N2O2 — CID 79337235

IUPAC(1-aminocyclopentyl)methyl N-(2,5-dichlorophenyl)carbamate
SMILESNC1(COC(=O)Nc2cc(Cl)ccc2Cl)CCCC1
InChIInChI=1S/C13H16Cl2N2O2/c14-9-3-4-10(15)11(7-9)17-12(18)19-8-13(16)5-1-2-6-13/h3-4,7H,1-2,5-6,8,16H2,(H,17,18)
InChIKeyQOAQEMJUTYCXCX-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.81
Rot. Bonds3

About (1-aminocyclopentyl)methyl N-(2,5-dichlorophenyl)carbamate

(1-aminocyclopentyl)methyl N-(2,5-dichlorophenyl)carbamate (PubChem CID 79337235) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is (1-aminocyclopentyl)methyl N-(2,5-dichlorophenyl)carbamate.

Molecular Properties

Compound Name(1-aminocyclopentyl)methyl N-(2,5-dichlorophenyl)carbamate
PubChem CID79337235
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name(1-aminocyclopentyl)methyl N-(2,5-dichlorophenyl)carbamate
SMILESNC1(COC(=O)Nc2cc(Cl)ccc2Cl)CCCC1
InChIInChI=1S/C13H16Cl2N2O2/c14-9-3-4-10(15)11(7-9)17-12(18)19-8-13(16)5-1-2-6-13/h3-4,7H,1-2,5-6,8,16H2,(H,17,18)
InChIKeyQOAQEMJUTYCXCX-UHFFFAOYSA-N
XLogP3.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclopentyl)-N-(2,5-dichlorophenyl)acetamide
CID 64683722
(1-aminocyclopentyl)methyl N-(4-chlorophenyl)carbamate
CID 79337548
(1-aminocyclohexyl)methyl N-(3-chlorophenyl)carbamate
CID 79337748
2-hydroxyethyl N-(2,5-dichlorophenyl)carbamate
CID 79346256
1-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119683786
1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide
CID 115443708
pyrrolidin-2-ylmethyl N-(2,5-dichlorophenyl)carbamate
CID 79338111
(2-amino-2-ethylbutyl) N-(2,5-dichlorophenyl)carbamate
CID 79337552
1-N,1-N'-bis(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 155683538
(1-aminocycloheptyl)methyl N-(4-methylphenyl)carbamate
CID 79338062
2-(diethylamino)ethyl N-(2,5-dichlorophenyl)carbamate
CID 30027
2-(1-aminocyclohexyl)-N-(5-chloro-2-cyanophenyl)acetamide
CID 64684415

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)methyl N-(2,5-dichlorophenyl)carbamate?
The IUPAC name of (1-aminocyclopentyl)methyl N-(2,5-dichlorophenyl)carbamate (CID 79337235) is (1-aminocyclopentyl)methyl N-(2,5-dichlorophenyl)carbamate.
What is the SMILES notation for (1-aminocyclopentyl)methyl N-(2,5-dichlorophenyl)carbamate?
The canonical SMILES for (1-aminocyclopentyl)methyl N-(2,5-dichlorophenyl)carbamate is NC1(COC(=O)Nc2cc(Cl)ccc2Cl)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)methyl N-(2,5-dichlorophenyl)carbamate?
The InChIKey is QOAQEMJUTYCXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c14-9-3-4-10(15)11(7-9)17-12(18)19-8-13(16)5-1-2-6-13/h3-4,7H,1-2,5-6,8,16H2,(H,17,18).
What are the key properties of (1-aminocyclopentyl)methyl N-(2,5-dichlorophenyl)carbamate?
(1-aminocyclopentyl)methyl N-(2,5-dichlorophenyl)carbamate has a molecular weight of 303.19 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)methyl N-(2,5-dichlorophenyl)carbamate is sourced from PubChem (CID 79337235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).