1-(4-chlorophenyl)-3-(3-naphthalen-2-ylphenyl)urea

C23H17ClN2O — CID 135376334

IUPAC1-(4-chlorophenyl)-3-(3-naphthalen-2-ylphenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C23H17ClN2O/c24-20-10-12-21(13-11-20)25-23(27)26-22-7-3-6-18(15-22)19-9-8-16-4-1-2-5-17(16)14-19/h1-15H,(H2,25,26,27)
InChIKeyASBMTSPEURSTKQ-UHFFFAOYSA-N
MW372.86 g/mol
LogP6.80
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(3-naphthalen-2-ylphenyl)urea

1-(4-chlorophenyl)-3-(3-naphthalen-2-ylphenyl)urea (PubChem CID 135376334) has the molecular formula C23H17ClN2O and a molecular weight of 372.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3-naphthalen-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3-naphthalen-2-ylphenyl)urea
PubChem CID135376334
Molecular FormulaC23H17ClN2O
Molecular Weight372.86 g/mol
Exact Mass372.10
IUPAC Name1-(4-chlorophenyl)-3-(3-naphthalen-2-ylphenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C23H17ClN2O/c24-20-10-12-21(13-11-20)25-23(27)26-22-7-3-6-18(15-22)19-9-8-16-4-1-2-5-17(16)14-19/h1-15H,(H2,25,26,27)
InChIKeyASBMTSPEURSTKQ-UHFFFAOYSA-N
XLogP6.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.86
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3-naphthalen-2-ylphenyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(3-naphthalen-2-ylphenyl)urea (CID 135376334) is 1-(4-chlorophenyl)-3-(3-naphthalen-2-ylphenyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3-naphthalen-2-ylphenyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3-naphthalen-2-ylphenyl)urea is O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3-naphthalen-2-ylphenyl)urea?
The InChIKey is ASBMTSPEURSTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O/c24-20-10-12-21(13-11-20)25-23(27)26-22-7-3-6-18(15-22)19-9-8-16-4-1-2-5-17(16)14-19/h1-15H,(H2,25,26,27).
What are the key properties of 1-(4-chlorophenyl)-3-(3-naphthalen-2-ylphenyl)urea?
1-(4-chlorophenyl)-3-(3-naphthalen-2-ylphenyl)urea has a molecular weight of 372.86 g/mol, XLogP of 6.80, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3-naphthalen-2-ylphenyl)urea is sourced from PubChem (CID 135376334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).