1-(3-chlorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea

C19H16ClN3O2 — CID 4128827

IUPAC1-(3-chlorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ncccc1OCc1ccccc1
InChIInChI=1S/C19H16ClN3O2/c20-15-8-4-9-16(12-15)22-19(24)23-18-17(10-5-11-21-18)25-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,21,22,23,24)
InChIKeyHOQLQTPBSOVRJL-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.96
Rot. Bonds5

About 1-(3-chlorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea

1-(3-chlorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea (PubChem CID 4128827) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea
PubChem CID4128827
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name1-(3-chlorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ncccc1OCc1ccccc1
InChIInChI=1S/C19H16ClN3O2/c20-15-8-4-9-16(12-15)22-19(24)23-18-17(10-5-11-21-18)25-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,21,22,23,24)
InChIKeyHOQLQTPBSOVRJL-UHFFFAOYSA-N
XLogP4.96
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea (CID 4128827) is 1-(3-chlorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea is O=C(Nc1cccc(Cl)c1)Nc1ncccc1OCc1ccccc1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea?
The InChIKey is HOQLQTPBSOVRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-15-8-4-9-16(12-15)22-19(24)23-18-17(10-5-11-21-18)25-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,21,22,23,24).
What are the key properties of 1-(3-chlorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea?
1-(3-chlorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea has a molecular weight of 353.81 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea is sourced from PubChem (CID 4128827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).