1-[(4-pyridin-4-yloxyphenyl)methyl]-3-(2,4,5-trichlorophenyl)urea

C19H14Cl3N3O2 — CID 73387943

IUPAC1-[(4-pyridin-4-yloxyphenyl)methyl]-3-(2,4,5-trichlorophenyl)urea
SMILESO=C(NCc1ccc(Oc2ccncc2)cc1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C19H14Cl3N3O2/c20-15-9-17(22)18(10-16(15)21)25-19(26)24-11-12-1-3-13(4-2-12)27-14-5-7-23-8-6-14/h1-10H,11H2,(H2,24,25,26)
InChIKeyZAKIYVLPSBVIDX-UHFFFAOYSA-N
MW422.70 g/mol
LogP6.16
Rot. Bonds5

About 1-[(4-pyridin-4-yloxyphenyl)methyl]-3-(2,4,5-trichlorophenyl)urea

1-[(4-pyridin-4-yloxyphenyl)methyl]-3-(2,4,5-trichlorophenyl)urea (PubChem CID 73387943) has the molecular formula C19H14Cl3N3O2 and a molecular weight of 422.70 g/mol. Its IUPAC name is 1-[(4-pyridin-4-yloxyphenyl)methyl]-3-(2,4,5-trichlorophenyl)urea.

Molecular Properties

Compound Name1-[(4-pyridin-4-yloxyphenyl)methyl]-3-(2,4,5-trichlorophenyl)urea
PubChem CID73387943
Molecular FormulaC19H14Cl3N3O2
Molecular Weight422.70 g/mol
Exact Mass421.02
IUPAC Name1-[(4-pyridin-4-yloxyphenyl)methyl]-3-(2,4,5-trichlorophenyl)urea
SMILESO=C(NCc1ccc(Oc2ccncc2)cc1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C19H14Cl3N3O2/c20-15-9-17(22)18(10-16(15)21)25-19(26)24-11-12-1-3-13(4-2-12)27-14-5-7-23-8-6-14/h1-10H,11H2,(H2,24,25,26)
InChIKeyZAKIYVLPSBVIDX-UHFFFAOYSA-N
XLogP6.16
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.70
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-pyridin-4-yl-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 118293299
1-(3-chlorophenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 10020988
1-(3-chloro-4-methoxyphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 73388284
1-(2,4-dichlorophenyl)-3-[(3-pyridin-4-yloxyphenyl)methyl]urea
CID 10045778
1-(3,4-dimethylphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 73388283
1-[4-chloro-2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 118293364
1-(3-chloro-2-methylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 6470630
4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 118293271
1-benzyl-3-(2-chloro-4-methoxyphenyl)urea
CID 110774601
4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 73388161
4-[4-[[(4-chloro-5-methyl-2-pyrrol-1-ylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 90044519
2-chloro-4-(pyridin-4-ylmethylcarbamoylamino)benzoic acid
CID 61398635

Frequently Asked Questions

What is the IUPAC name of 1-[(4-pyridin-4-yloxyphenyl)methyl]-3-(2,4,5-trichlorophenyl)urea?
The IUPAC name of 1-[(4-pyridin-4-yloxyphenyl)methyl]-3-(2,4,5-trichlorophenyl)urea (CID 73387943) is 1-[(4-pyridin-4-yloxyphenyl)methyl]-3-(2,4,5-trichlorophenyl)urea.
What is the SMILES notation for 1-[(4-pyridin-4-yloxyphenyl)methyl]-3-(2,4,5-trichlorophenyl)urea?
The canonical SMILES for 1-[(4-pyridin-4-yloxyphenyl)methyl]-3-(2,4,5-trichlorophenyl)urea is O=C(NCc1ccc(Oc2ccncc2)cc1)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 1-[(4-pyridin-4-yloxyphenyl)methyl]-3-(2,4,5-trichlorophenyl)urea?
The InChIKey is ZAKIYVLPSBVIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl3N3O2/c20-15-9-17(22)18(10-16(15)21)25-19(26)24-11-12-1-3-13(4-2-12)27-14-5-7-23-8-6-14/h1-10H,11H2,(H2,24,25,26).
What are the key properties of 1-[(4-pyridin-4-yloxyphenyl)methyl]-3-(2,4,5-trichlorophenyl)urea?
1-[(4-pyridin-4-yloxyphenyl)methyl]-3-(2,4,5-trichlorophenyl)urea has a molecular weight of 422.70 g/mol, XLogP of 6.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-pyridin-4-yloxyphenyl)methyl]-3-(2,4,5-trichlorophenyl)urea is sourced from PubChem (CID 73387943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).