1-(3-chlorophenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea

C19H16ClN3O2 — CID 10020988

IUPAC1-(3-chlorophenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
SMILESO=C(NCc1ccc(Oc2ccncc2)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H16ClN3O2/c20-15-2-1-3-16(12-15)23-19(24)22-13-14-4-6-17(7-5-14)25-18-8-10-21-11-9-18/h1-12H,13H2,(H2,22,23,24)
InChIKeyALSDFHNVMRHWFD-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.85
Rot. Bonds5

About 1-(3-chlorophenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea

1-(3-chlorophenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea (PubChem CID 10020988) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
PubChem CID10020988
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name1-(3-chlorophenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
SMILESO=C(NCc1ccc(Oc2ccncc2)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H16ClN3O2/c20-15-2-1-3-16(12-15)23-19(24)22-13-14-4-6-17(7-5-14)25-18-8-10-21-11-9-18/h1-12H,13H2,(H2,22,23,24)
InChIKeyALSDFHNVMRHWFD-UHFFFAOYSA-N
XLogP4.85
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 ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-4-yl-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 118293299
1-(3-chloro-4-methoxyphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 73388284
1-[(4-pyridin-4-yloxyphenyl)methyl]-3-(2,4,5-trichlorophenyl)urea
CID 73387943
1-(3,4-dimethylphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 73388283
1-(3-chlorophenyl)-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 27869113
1-(2,4-dichlorophenyl)-3-[(3-pyridin-4-yloxyphenyl)methyl]urea
CID 10045778
1-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222969
1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312020
4-N-(3-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047778
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
1-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)urea
CID 60969136
N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108884075

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea (CID 10020988) is 1-(3-chlorophenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea is O=C(NCc1ccc(Oc2ccncc2)cc1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea?
The InChIKey is ALSDFHNVMRHWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-15-2-1-3-16(12-15)23-19(24)22-13-14-4-6-17(7-5-14)25-18-8-10-21-11-9-18/h1-12H,13H2,(H2,22,23,24).
What are the key properties of 1-(3-chlorophenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea?
1-(3-chlorophenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea has a molecular weight of 353.81 g/mol, XLogP of 4.85, 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-[(4-pyridin-4-yloxyphenyl)methyl]urea is sourced from PubChem (CID 10020988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).