chloro(naphthalen-1-yl)carbamic acid;hydrochloride

C11H9Cl2NO2 — CID 88734221

IUPACchloro(naphthalen-1-yl)carbamic acid;hydrochloride
SMILESCl.O=C(O)N(Cl)c1cccc2ccccc12
InChIInChI=1S/C11H8ClNO2.ClH/c12-13(11(14)15)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H,14,15);1H
InChIKeyOXWBKJTZCMOUBB-UHFFFAOYSA-N
MW258.10 g/mol
LogP3.90
Rot. Bonds1

About chloro(naphthalen-1-yl)carbamic acid;hydrochloride

chloro(naphthalen-1-yl)carbamic acid;hydrochloride (PubChem CID 88734221) has the molecular formula C11H9Cl2NO2 and a molecular weight of 258.10 g/mol. Its IUPAC name is chloro(naphthalen-1-yl)carbamic acid;hydrochloride.

Molecular Properties

Compound Namechloro(naphthalen-1-yl)carbamic acid;hydrochloride
PubChem CID88734221
Molecular FormulaC11H9Cl2NO2
Molecular Weight258.10 g/mol
Exact Mass257.00
IUPAC Namechloro(naphthalen-1-yl)carbamic acid;hydrochloride
SMILESCl.O=C(O)N(Cl)c1cccc2ccccc12
InChIInChI=1S/C11H8ClNO2.ClH/c12-13(11(14)15)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H,14,15);1H
InChIKeyOXWBKJTZCMOUBB-UHFFFAOYSA-N
XLogP3.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro(naphthalen-1-yl)carbamic acid;hydrochloride?
The IUPAC name of chloro(naphthalen-1-yl)carbamic acid;hydrochloride (CID 88734221) is chloro(naphthalen-1-yl)carbamic acid;hydrochloride.
What is the SMILES notation for chloro(naphthalen-1-yl)carbamic acid;hydrochloride?
The canonical SMILES for chloro(naphthalen-1-yl)carbamic acid;hydrochloride is Cl.O=C(O)N(Cl)c1cccc2ccccc12.
What is the InChIKey of chloro(naphthalen-1-yl)carbamic acid;hydrochloride?
The InChIKey is OXWBKJTZCMOUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2.ClH/c12-13(11(14)15)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H,14,15);1H.
What are the key properties of chloro(naphthalen-1-yl)carbamic acid;hydrochloride?
chloro(naphthalen-1-yl)carbamic acid;hydrochloride has a molecular weight of 258.10 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(naphthalen-1-yl)carbamic acid;hydrochloride is sourced from PubChem (CID 88734221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).