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

C19H16ClN3O2 — CID 11638938

IUPAC1-(2-chlorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea
SMILESO=C(Nc1ccccc1Cl)Nc1ncccc1OCc1ccccc1
InChIInChI=1S/C19H16ClN3O2/c20-15-9-4-5-10-16(15)22-19(24)23-18-17(11-6-12-21-18)25-13-14-7-2-1-3-8-14/h1-12H,13H2,(H2,21,22,23,24)
InChIKeyHOOPYBWMXMCQQZ-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.96
Rot. Bonds5

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

1-(2-chlorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea (PubChem CID 11638938) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea
PubChem CID11638938
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name1-(2-chlorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea
SMILESO=C(Nc1ccccc1Cl)Nc1ncccc1OCc1ccccc1
InChIInChI=1S/C19H16ClN3O2/c20-15-9-4-5-10-16(15)22-19(24)23-18-17(11-6-12-21-18)25-13-14-7-2-1-3-8-14/h1-12H,13H2,(H2,21,22,23,24)
InChIKeyHOOPYBWMXMCQQZ-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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Related Compounds

N-(5-chloropyridin-2-yl)-2-phenoxyacetamide
CID 738246
1-(3-Benzyloxy-2-pyridyl)-3-phenyl-urea
CID 3663276
US10155760, Example 66
CID 118429681
US10155760, Example 237
CID 118429996
4-[3-(3-Benzyloxy-pyridin-2-yl)-ureido]-benzamide
CID 11574097
3-[3-(3-Benzyloxy-pyridin-2-yl)-ureido]-benzamide
CID 11639129
1-(4-Ethyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea
CID 2811862
1-(5-Chloro-2-pyridyl)-3-[2-(3-ethoxy-2-fluoro-6-methoxy-phenyl)ethyl]urea
CID 469202
1-(3-Benzyloxypyridin-2-yl)-3-(3-chlorophenyl)urea
CID 4128827
(3-Benzyloxy-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11369816
3-[(2-chlorophenyl)methyl]-1-(4-methoxyphenyl)-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea
CID 11612229
3-[(2-Chlorophenyl)methyl]-1-(4-methoxyphenyl)-1-[2-(propan-2-ylamino)pyrimidin-4-yl]urea
CID 11633262

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea (CID 11638938) is 1-(2-chlorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea is O=C(Nc1ccccc1Cl)Nc1ncccc1OCc1ccccc1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea?
The InChIKey is HOOPYBWMXMCQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-15-9-4-5-10-16(15)22-19(24)23-18-17(11-6-12-21-18)25-13-14-7-2-1-3-8-14/h1-12H,13H2,(H2,21,22,23,24).
What are the key properties of 1-(2-chlorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea?
1-(2-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-(2-chlorophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea is sourced from PubChem (CID 11638938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).