1-[(4-chlorophenoxy)methyl]-3-(pyridin-4-ylmethyl)urea

C14H14ClN3O2 — CID 108885189

IUPAC1-[(4-chlorophenoxy)methyl]-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCOc1ccc(Cl)cc1)NCc1ccncc1
InChIInChI=1S/C14H14ClN3O2/c15-12-1-3-13(4-2-12)20-10-18-14(19)17-9-11-5-7-16-8-6-11/h1-8H,9-10H2,(H2,17,18,19)
InChIKeyFAZYMVRUOPSUBG-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.57
Rot. Bonds5

About 1-[(4-chlorophenoxy)methyl]-3-(pyridin-4-ylmethyl)urea

1-[(4-chlorophenoxy)methyl]-3-(pyridin-4-ylmethyl)urea (PubChem CID 108885189) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 1-[(4-chlorophenoxy)methyl]-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenoxy)methyl]-3-(pyridin-4-ylmethyl)urea
PubChem CID108885189
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name1-[(4-chlorophenoxy)methyl]-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCOc1ccc(Cl)cc1)NCc1ccncc1
InChIInChI=1S/C14H14ClN3O2/c15-12-1-3-13(4-2-12)20-10-18-14(19)17-9-11-5-7-16-8-6-11/h1-8H,9-10H2,(H2,17,18,19)
InChIKeyFAZYMVRUOPSUBG-UHFFFAOYSA-N
XLogP2.57
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[(4-chlorophenoxy)methyl]-3-(pyridin-4-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-chlorophenoxy)methyl]-3-[2-(4-chlorophenyl)ethyl]urea
CID 108885405
1-[(4-chlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108885386
1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108880889
1-[3-(4-fluorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea
CID 60605473
(2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide
CID 7450116
(4-chlorophenoxy)methylcarbamothioic S-acid
CID 88825777
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 154646142
1-[(4-chlorophenoxy)methyl]-3-(2,2-diethoxyethyl)urea
CID 108885416
1-[(4-chlorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 47323613
1-[(4-chlorophenyl)methyl]-3-pyrimidin-2-ylurea
CID 108899241
1-[3-(2-chlorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea
CID 108883450
6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109156907

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenoxy)methyl]-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-[(4-chlorophenoxy)methyl]-3-(pyridin-4-ylmethyl)urea (CID 108885189) is 1-[(4-chlorophenoxy)methyl]-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-[(4-chlorophenoxy)methyl]-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-[(4-chlorophenoxy)methyl]-3-(pyridin-4-ylmethyl)urea is O=C(NCOc1ccc(Cl)cc1)NCc1ccncc1.
What is the InChIKey of 1-[(4-chlorophenoxy)methyl]-3-(pyridin-4-ylmethyl)urea?
The InChIKey is FAZYMVRUOPSUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c15-12-1-3-13(4-2-12)20-10-18-14(19)17-9-11-5-7-16-8-6-11/h1-8H,9-10H2,(H2,17,18,19).
What are the key properties of 1-[(4-chlorophenoxy)methyl]-3-(pyridin-4-ylmethyl)urea?
1-[(4-chlorophenoxy)methyl]-3-(pyridin-4-ylmethyl)urea has a molecular weight of 291.74 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenoxy)methyl]-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 108885189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).