1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(6-chloro-3-pyridinyl)methyl]urea

C15H15Cl2N3O2 — CID 110900450

IUPAC1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(6-chloro-3-pyridinyl)methyl]urea
SMILESO=C(NCc1ccc(Cl)nc1)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C15H15Cl2N3O2/c16-12-4-2-11(3-5-12)13(21)9-20-15(22)19-8-10-1-6-14(17)18-7-10/h1-7,13,21H,8-9H2,(H2,19,20,22)
InChIKeyRLGOERYADGGHGX-UHFFFAOYSA-N
MW340.21 g/mol
LogP2.92
Rot. Bonds5

About 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(6-chloro-3-pyridinyl)methyl]urea

1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(6-chloro-3-pyridinyl)methyl]urea (PubChem CID 110900450) has the molecular formula C15H15Cl2N3O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(6-chloro-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(6-chloro-3-pyridinyl)methyl]urea
PubChem CID110900450
Molecular FormulaC15H15Cl2N3O2
Molecular Weight340.21 g/mol
Exact Mass339.05
IUPAC Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(6-chloro-3-pyridinyl)methyl]urea
SMILESO=C(NCc1ccc(Cl)nc1)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C15H15Cl2N3O2/c16-12-4-2-11(3-5-12)13(21)9-20-15(22)19-8-10-1-6-14(17)18-7-10/h1-7,13,21H,8-9H2,(H2,19,20,22)
InChIKeyRLGOERYADGGHGX-UHFFFAOYSA-N
XLogP2.92
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 110903365
1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea
CID 94179490
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]urea
CID 95986798
1-[(4-chlorophenyl)methyl]-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
CID 71798421
2-[(6-chloro-3-pyridinyl)methylamino]-1-(4-methylphenyl)ethanol
CID 111476645
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea
CID 38214845
1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 95189163
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea
CID 95983552
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-thiophen-2-ylethyl)urea
CID 71782525
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(diethylamino)propyl]urea
CID 110893643
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(4-hydroxyphenyl)methyl]urea
CID 110895643
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
CID 90497488

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(6-chloro-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(6-chloro-3-pyridinyl)methyl]urea (CID 110900450) is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(6-chloro-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(6-chloro-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(6-chloro-3-pyridinyl)methyl]urea is O=C(NCc1ccc(Cl)nc1)NCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(6-chloro-3-pyridinyl)methyl]urea?
The InChIKey is RLGOERYADGGHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2/c16-12-4-2-11(3-5-12)13(21)9-20-15(22)19-8-10-1-6-14(17)18-7-10/h1-7,13,21H,8-9H2,(H2,19,20,22).
What are the key properties of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(6-chloro-3-pyridinyl)methyl]urea?
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(6-chloro-3-pyridinyl)methyl]urea has a molecular weight of 340.21 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(6-chloro-3-pyridinyl)methyl]urea is sourced from PubChem (CID 110900450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).