naphthalen-1-ylurea;hydrochloride

C11H11ClN2O — CID 141142203

IUPACnaphthalen-1-ylurea;hydrochloride
SMILESCl.NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C11H10N2O.ClH/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H3,12,13,14);1H
InChIKeyAFHYBLOTYVYIQS-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.75
Rot. Bonds1

About naphthalen-1-ylurea;hydrochloride

naphthalen-1-ylurea;hydrochloride (PubChem CID 141142203) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is naphthalen-1-ylurea;hydrochloride.

Molecular Properties

Compound Namenaphthalen-1-ylurea;hydrochloride
PubChem CID141142203
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Namenaphthalen-1-ylurea;hydrochloride
SMILESCl.NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C11H10N2O.ClH/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H3,12,13,14);1H
InChIKeyAFHYBLOTYVYIQS-UHFFFAOYSA-N
XLogP2.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
N,N'-dinaphthalen-1-ylbutanediamide
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2-aminobenzenesulfonamide;naphthalen-1-ylurea
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1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea
CID 62667648
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476
(naphthalen-1-ylamino) carbamate
CID 57425997
2-hydroxy-3-(naphthalen-1-ylcarbamoylamino)propanamide
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3-(naphthalen-1-ylcarbamoyl)but-3-enoic acid
CID 139970966

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylurea;hydrochloride?
The IUPAC name of naphthalen-1-ylurea;hydrochloride (CID 141142203) is naphthalen-1-ylurea;hydrochloride.
What is the SMILES notation for naphthalen-1-ylurea;hydrochloride?
The canonical SMILES for naphthalen-1-ylurea;hydrochloride is Cl.NC(=O)Nc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-ylurea;hydrochloride?
The InChIKey is AFHYBLOTYVYIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O.ClH/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H3,12,13,14);1H.
What are the key properties of naphthalen-1-ylurea;hydrochloride?
naphthalen-1-ylurea;hydrochloride has a molecular weight of 222.68 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylurea;hydrochloride is sourced from PubChem (CID 141142203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).