chloro-N-(naphthalen-1-ylcarbamoyl)phosphonamidic acid

C11H10ClN2O3P — CID 91621928

IUPACchloro-N-(naphthalen-1-ylcarbamoyl)phosphonamidic acid
SMILESO=C(Nc1cccc2ccccc12)NP(=O)(O)Cl
InChIInChI=1S/C11H10ClN2O3P/c12-18(16,17)14-11(15)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,13,14,15,16,17)
InChIKeyUXWWILIIJZKWAQ-UHFFFAOYSA-N
MW284.64 g/mol
LogP3.30
Rot. Bonds2

About chloro-N-(naphthalen-1-ylcarbamoyl)phosphonamidic acid

chloro-N-(naphthalen-1-ylcarbamoyl)phosphonamidic acid (PubChem CID 91621928) has the molecular formula C11H10ClN2O3P and a molecular weight of 284.64 g/mol. Its IUPAC name is chloro-N-(naphthalen-1-ylcarbamoyl)phosphonamidic acid.

Molecular Properties

Compound Namechloro-N-(naphthalen-1-ylcarbamoyl)phosphonamidic acid
PubChem CID91621928
Molecular FormulaC11H10ClN2O3P
Molecular Weight284.64 g/mol
Exact Mass284.01
IUPAC Namechloro-N-(naphthalen-1-ylcarbamoyl)phosphonamidic acid
SMILESO=C(Nc1cccc2ccccc12)NP(=O)(O)Cl
InChIInChI=1S/C11H10ClN2O3P/c12-18(16,17)14-11(15)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,13,14,15,16,17)
InChIKeyUXWWILIIJZKWAQ-UHFFFAOYSA-N
XLogP3.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.64
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide
CID 12609099
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
1-(2-hydroxypropyl)-3-naphthalen-1-ylurea
CID 17468556
naphthalen-1-ylurea;hydrochloride
CID 141142203
1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea
CID 62667648
1-naphthalen-1-yl-3-tritylurea
CID 4029941
1-naphthalen-1-yl-3-(naphthalen-1-ylsulfamoyl)urea
CID 134347050

Frequently Asked Questions

What is the IUPAC name of chloro-N-(naphthalen-1-ylcarbamoyl)phosphonamidic acid?
The IUPAC name of chloro-N-(naphthalen-1-ylcarbamoyl)phosphonamidic acid (CID 91621928) is chloro-N-(naphthalen-1-ylcarbamoyl)phosphonamidic acid.
What is the SMILES notation for chloro-N-(naphthalen-1-ylcarbamoyl)phosphonamidic acid?
The canonical SMILES for chloro-N-(naphthalen-1-ylcarbamoyl)phosphonamidic acid is O=C(Nc1cccc2ccccc12)NP(=O)(O)Cl.
What is the InChIKey of chloro-N-(naphthalen-1-ylcarbamoyl)phosphonamidic acid?
The InChIKey is UXWWILIIJZKWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN2O3P/c12-18(16,17)14-11(15)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,13,14,15,16,17).
What are the key properties of chloro-N-(naphthalen-1-ylcarbamoyl)phosphonamidic acid?
chloro-N-(naphthalen-1-ylcarbamoyl)phosphonamidic acid has a molecular weight of 284.64 g/mol, XLogP of 3.30, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-N-(naphthalen-1-ylcarbamoyl)phosphonamidic acid is sourced from PubChem (CID 91621928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).