1-(2,4-dichlorophenyl)-3-[(3-pyridin-4-yloxyphenyl)methyl]urea

C19H15Cl2N3O2 — CID 10045778

IUPAC1-(2,4-dichlorophenyl)-3-[(3-pyridin-4-yloxyphenyl)methyl]urea
SMILESO=C(NCc1cccc(Oc2ccncc2)c1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H15Cl2N3O2/c20-14-4-5-18(17(21)11-14)24-19(25)23-12-13-2-1-3-16(10-13)26-15-6-8-22-9-7-15/h1-11H,12H2,(H2,23,24,25)
InChIKeyWCTUDXSRPHPESG-UHFFFAOYSA-N
MW388.25 g/mol
LogP5.50
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-3-[(3-pyridin-4-yloxyphenyl)methyl]urea

1-(2,4-dichlorophenyl)-3-[(3-pyridin-4-yloxyphenyl)methyl]urea (PubChem CID 10045778) has the molecular formula C19H15Cl2N3O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-[(3-pyridin-4-yloxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-[(3-pyridin-4-yloxyphenyl)methyl]urea
PubChem CID10045778
Molecular FormulaC19H15Cl2N3O2
Molecular Weight388.25 g/mol
Exact Mass387.05
IUPAC Name1-(2,4-dichlorophenyl)-3-[(3-pyridin-4-yloxyphenyl)methyl]urea
SMILESO=C(NCc1cccc(Oc2ccncc2)c1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H15Cl2N3O2/c20-14-4-5-18(17(21)11-14)24-19(25)23-12-13-2-1-3-16(10-13)26-15-6-8-22-9-7-15/h1-11H,12H2,(H2,23,24,25)
InChIKeyWCTUDXSRPHPESG-UHFFFAOYSA-N
XLogP5.50
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 ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-pyridin-4-yloxyphenyl)methyl]-3-(2,4,5-trichlorophenyl)urea
CID 73387943
1-(3-chlorophenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 10020988
1-(4-bromo-2-chlorophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 52594310
N-[3-[[(3-pyridin-4-yloxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 86940328
N'-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2818710
1-(4-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125736
1-(2-chlorophenyl)-3-[(3-ethoxyphenyl)methyl]urea
CID 51046185
1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea
CID 108898743
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 4050389
1-benzyl-3-(2-chloro-4-methoxyphenyl)urea
CID 110774601
1-pyridin-4-yl-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 118293299
1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898298

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-[(3-pyridin-4-yloxyphenyl)methyl]urea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-[(3-pyridin-4-yloxyphenyl)methyl]urea (CID 10045778) is 1-(2,4-dichlorophenyl)-3-[(3-pyridin-4-yloxyphenyl)methyl]urea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-[(3-pyridin-4-yloxyphenyl)methyl]urea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-[(3-pyridin-4-yloxyphenyl)methyl]urea is O=C(NCc1cccc(Oc2ccncc2)c1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-[(3-pyridin-4-yloxyphenyl)methyl]urea?
The InChIKey is WCTUDXSRPHPESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O2/c20-14-4-5-18(17(21)11-14)24-19(25)23-12-13-2-1-3-16(10-13)26-15-6-8-22-9-7-15/h1-11H,12H2,(H2,23,24,25).
What are the key properties of 1-(2,4-dichlorophenyl)-3-[(3-pyridin-4-yloxyphenyl)methyl]urea?
1-(2,4-dichlorophenyl)-3-[(3-pyridin-4-yloxyphenyl)methyl]urea has a molecular weight of 388.25 g/mol, XLogP of 5.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-[(3-pyridin-4-yloxyphenyl)methyl]urea is sourced from PubChem (CID 10045778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).