1-(3-bromophenyl)-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea

C19H15BrClN3O2 — CID 52941063

IUPAC1-(3-bromophenyl)-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea
SMILESO=C(Nc1cccc(Br)c1)Nc1cccn(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C19H15BrClN3O2/c20-14-6-3-7-15(11-14)22-19(26)23-17-9-4-10-24(18(17)25)12-13-5-1-2-8-16(13)21/h1-11H,12H2,(H2,22,23,26)
InChIKeyXHKWPBNILHLDFJ-UHFFFAOYSA-N
MW432.71 g/mol
LogP4.96
Rot. Bonds4

About 1-(3-bromophenyl)-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea

1-(3-bromophenyl)-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea (PubChem CID 52941063) has the molecular formula C19H15BrClN3O2 and a molecular weight of 432.71 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea
PubChem CID52941063
Molecular FormulaC19H15BrClN3O2
Molecular Weight432.71 g/mol
Exact Mass431.00
IUPAC Name1-(3-bromophenyl)-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea
SMILESO=C(Nc1cccc(Br)c1)Nc1cccn(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C19H15BrClN3O2/c20-14-6-3-7-15(11-14)22-19(26)23-17-9-4-10-24(18(17)25)12-13-5-1-2-8-16(13)21/h1-11H,12H2,(H2,22,23,26)
InChIKeyXHKWPBNILHLDFJ-UHFFFAOYSA-N
XLogP4.96
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.71
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea?
The IUPAC name of 1-(3-bromophenyl)-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea (CID 52941063) is 1-(3-bromophenyl)-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea.
What is the SMILES notation for 1-(3-bromophenyl)-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea?
The canonical SMILES for 1-(3-bromophenyl)-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea is O=C(Nc1cccc(Br)c1)Nc1cccn(Cc2ccccc2Cl)c1=O.
What is the InChIKey of 1-(3-bromophenyl)-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea?
The InChIKey is XHKWPBNILHLDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClN3O2/c20-14-6-3-7-15(11-14)22-19(26)23-17-9-4-10-24(18(17)25)12-13-5-1-2-8-16(13)21/h1-11H,12H2,(H2,22,23,26).
What are the key properties of 1-(3-bromophenyl)-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea?
1-(3-bromophenyl)-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea has a molecular weight of 432.71 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea is sourced from PubChem (CID 52941063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).