1-phenylcyclopentane-1-carboxamide;dihydrochloride

C12H17Cl2NO — CID 142770378

IUPAC1-phenylcyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C12H15NO.2ClH/c13-11(14)12(8-4-5-9-12)10-6-2-1-3-7-10;;/h1-3,6-7H,4-5,8-9H2,(H2,13,14);2*1H
InChIKeyVMBNLWKTOREBCN-UHFFFAOYSA-N
MW262.18 g/mol
LogP2.83
Rot. Bonds2

About 1-phenylcyclopentane-1-carboxamide;dihydrochloride

1-phenylcyclopentane-1-carboxamide;dihydrochloride (PubChem CID 142770378) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 1-phenylcyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-phenylcyclopentane-1-carboxamide;dihydrochloride
PubChem CID142770378
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name1-phenylcyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C12H15NO.2ClH/c13-11(14)12(8-4-5-9-12)10-6-2-1-3-7-10;;/h1-3,6-7H,4-5,8-9H2,(H2,13,14);2*1H
InChIKeyVMBNLWKTOREBCN-UHFFFAOYSA-N
XLogP2.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 22240919
N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-phenylcyclopentane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-phenylcyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-phenylcyclopentane-1-carboxamide;dihydrochloride (CID 142770378) is 1-phenylcyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-phenylcyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-phenylcyclopentane-1-carboxamide;dihydrochloride is Cl.Cl.NC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of 1-phenylcyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is VMBNLWKTOREBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.2ClH/c13-11(14)12(8-4-5-9-12)10-6-2-1-3-7-10;;/h1-3,6-7H,4-5,8-9H2,(H2,13,14);2*1H.
What are the key properties of 1-phenylcyclopentane-1-carboxamide;dihydrochloride?
1-phenylcyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 262.18 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylcyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 142770378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).