(1-aminocyclopentyl)methyl N-(4-chlorophenyl)carbamate

C13H17ClN2O2 — CID 79337548

IUPAC(1-aminocyclopentyl)methyl N-(4-chlorophenyl)carbamate
SMILESNC1(COC(=O)Nc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C13H17ClN2O2/c14-10-3-5-11(6-4-10)16-12(17)18-9-13(15)7-1-2-8-13/h3-6H,1-2,7-9,15H2,(H,16,17)
InChIKeySRZPMADVHUMYST-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.16
Rot. Bonds3

About (1-aminocyclopentyl)methyl N-(4-chlorophenyl)carbamate

(1-aminocyclopentyl)methyl N-(4-chlorophenyl)carbamate (PubChem CID 79337548) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (1-aminocyclopentyl)methyl N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name(1-aminocyclopentyl)methyl N-(4-chlorophenyl)carbamate
PubChem CID79337548
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(1-aminocyclopentyl)methyl N-(4-chlorophenyl)carbamate
SMILESNC1(COC(=O)Nc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C13H17ClN2O2/c14-10-3-5-11(6-4-10)16-12(17)18-9-13(15)7-1-2-8-13/h3-6H,1-2,7-9,15H2,(H,16,17)
InChIKeySRZPMADVHUMYST-UHFFFAOYSA-N
XLogP3.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocycloheptyl)methyl N-(4-methylphenyl)carbamate
CID 79338062
(1-aminocyclohexyl)methyl N-(3-chlorophenyl)carbamate
CID 79337748
(1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate
CID 79337138
(1-aminocycloheptyl)methyl N-(4-cyanophenyl)carbamate
CID 79341766
(1-aminocyclopentyl)methyl N-(2,5-dichlorophenyl)carbamate
CID 79337235
(1-aminocyclopentyl)methyl N-(3-methoxyphenyl)carbamate
CID 79337035
1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 17420083
2,2,2-trifluoroethyl N-(4-chlorophenyl)carbamate
CID 9106578
2-(1-aminocyclopentyl)-N-[4-(cyanomethoxy)phenyl]acetamide
CID 64677584
(1-aminocyclopentyl)methyl N-benzylcarbamate
CID 107654689
ethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate
CID 60854428
2-[5-[1-(dimethylamino)cyclopentyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
CID 3960724

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)methyl N-(4-chlorophenyl)carbamate?
The IUPAC name of (1-aminocyclopentyl)methyl N-(4-chlorophenyl)carbamate (CID 79337548) is (1-aminocyclopentyl)methyl N-(4-chlorophenyl)carbamate.
What is the SMILES notation for (1-aminocyclopentyl)methyl N-(4-chlorophenyl)carbamate?
The canonical SMILES for (1-aminocyclopentyl)methyl N-(4-chlorophenyl)carbamate is NC1(COC(=O)Nc2ccc(Cl)cc2)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)methyl N-(4-chlorophenyl)carbamate?
The InChIKey is SRZPMADVHUMYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-10-3-5-11(6-4-10)16-12(17)18-9-13(15)7-1-2-8-13/h3-6H,1-2,7-9,15H2,(H,16,17).
What are the key properties of (1-aminocyclopentyl)methyl N-(4-chlorophenyl)carbamate?
(1-aminocyclopentyl)methyl N-(4-chlorophenyl)carbamate has a molecular weight of 268.74 g/mol, XLogP of 3.16, 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-(4-chlorophenyl)carbamate is sourced from PubChem (CID 79337548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).