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

C13H11Cl2N3O — CID 108897788

IUPAC1-[(2-chlorophenyl)methyl]-3-(4-chloro-2-pyridinyl)urea
SMILESO=C(NCc1ccccc1Cl)Nc1cc(Cl)ccn1
InChIInChI=1S/C13H11Cl2N3O/c14-10-5-6-16-12(7-10)18-13(19)17-8-9-3-1-2-4-11(9)15/h1-7H,8H2,(H2,16,17,18,19)
InChIKeyMRXNAMNWARFOTG-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.71
Rot. Bonds3

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

1-[(2-chlorophenyl)methyl]-3-(4-chloro-2-pyridinyl)urea (PubChem CID 108897788) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-(4-chloro-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-(4-chloro-2-pyridinyl)urea
PubChem CID108897788
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name1-[(2-chlorophenyl)methyl]-3-(4-chloro-2-pyridinyl)urea
SMILESO=C(NCc1ccccc1Cl)Nc1cc(Cl)ccn1
InChIInChI=1S/C13H11Cl2N3O/c14-10-5-6-16-12(7-10)18-13(19)17-8-9-3-1-2-4-11(9)15/h1-7H,8H2,(H2,16,17,18,19)
InChIKeyMRXNAMNWARFOTG-UHFFFAOYSA-N
XLogP3.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea
CID 108897307
1-benzyl-3-(4-chloro-2-pyridinyl)urea
CID 108871348
1-[(2-chlorophenyl)methyl]-3-pyrazin-2-ylurea
CID 110492285
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
N-[(2-chlorophenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide
CID 44999999
1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea
CID 108894678
N-[(2-chlorophenyl)methyl]-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170717
1-(4-chloro-2-pyridinyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896855
1-[(2-chlorophenyl)methyl]-3-(2-methylphenyl)urea
CID 6468848
N-(4-chloro-2-pyridinyl)-2-hydroxyacetamide
CID 83768276
1-[(2,4-dichlorophenyl)methyl]-3-(2-fluorophenyl)urea
CID 47103647
1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)urea
CID 47192222

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(4-chloro-2-pyridinyl)urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(4-chloro-2-pyridinyl)urea (CID 108897788) is 1-[(2-chlorophenyl)methyl]-3-(4-chloro-2-pyridinyl)urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-(4-chloro-2-pyridinyl)urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-(4-chloro-2-pyridinyl)urea is O=C(NCc1ccccc1Cl)Nc1cc(Cl)ccn1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-(4-chloro-2-pyridinyl)urea?
The InChIKey is MRXNAMNWARFOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c14-10-5-6-16-12(7-10)18-13(19)17-8-9-3-1-2-4-11(9)15/h1-7H,8H2,(H2,16,17,18,19).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-(4-chloro-2-pyridinyl)urea?
1-[(2-chlorophenyl)methyl]-3-(4-chloro-2-pyridinyl)urea has a molecular weight of 296.16 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-(4-chloro-2-pyridinyl)urea is sourced from PubChem (CID 108897788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).