1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea

C19H15Cl2N3O2 — CID 72545410

IUPAC1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ncccc1OCc1cccc(Cl)c1
InChIInChI=1S/C19H15Cl2N3O2/c20-14-5-1-4-13(10-14)12-26-17-8-3-9-22-18(17)24-19(25)23-16-7-2-6-15(21)11-16/h1-11H,12H2,(H2,22,23,24,25)
InChIKeyUYYBIPOLDXSSGZ-UHFFFAOYSA-N
MW388.25 g/mol
LogP5.61
Rot. Bonds5

About 1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea

1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea (PubChem CID 72545410) has the molecular formula C19H15Cl2N3O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea
PubChem CID72545410
Molecular FormulaC19H15Cl2N3O2
Molecular Weight388.25 g/mol
Exact Mass387.05
IUPAC Name1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ncccc1OCc1cccc(Cl)c1
InChIInChI=1S/C19H15Cl2N3O2/c20-14-5-1-4-13(10-14)12-26-17-8-3-9-22-18(17)24-19(25)23-16-7-2-6-15(21)11-16/h1-11H,12H2,(H2,22,23,24,25)
InChIKeyUYYBIPOLDXSSGZ-UHFFFAOYSA-N
XLogP5.61
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.25
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 42626192
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CID 118429681
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CID 2811862
CID 2811862
CID 4128827
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CID 11369816
CID 11369816
CID 11612229
CID 11612229
CID 44412818
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CID 51037724
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CID 58349181
CID 58349181
CID 68534894
CID 68534894

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea (CID 72545410) is 1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea is O=C(Nc1cccc(Cl)c1)Nc1ncccc1OCc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea?
The InChIKey is UYYBIPOLDXSSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O2/c20-14-5-1-4-13(10-14)12-26-17-8-3-9-22-18(17)24-19(25)23-16-7-2-6-15(21)11-16/h1-11H,12H2,(H2,22,23,24,25).
What are the key properties of 1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea?
1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea has a molecular weight of 388.25 g/mol, XLogP of 5.61, 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-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea is sourced from PubChem (CID 72545410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).