1-[1-[(4-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea

C19H14ClF2N3O2 — CID 1478523

IUPAC1-[1-[(4-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1cccn(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C19H14ClF2N3O2/c20-13-5-3-12(4-6-13)11-25-9-1-2-17(18(25)26)24-19(27)23-16-8-7-14(21)10-15(16)22/h1-10H,11H2,(H2,23,24,27)
InChIKeyIHSXMPMJWJWETK-UHFFFAOYSA-N
MW389.79 g/mol
LogP4.47
Rot. Bonds4

About 1-[1-[(4-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea

1-[1-[(4-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea (PubChem CID 1478523) has the molecular formula C19H14ClF2N3O2 and a molecular weight of 389.79 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea
PubChem CID1478523
Molecular FormulaC19H14ClF2N3O2
Molecular Weight389.79 g/mol
Exact Mass389.07
IUPAC Name1-[1-[(4-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1cccn(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C19H14ClF2N3O2/c20-13-5-3-12(4-6-13)11-25-9-1-2-17(18(25)26)24-19(27)23-16-8-7-14(21)10-15(16)22/h1-10H,11H2,(H2,23,24,27)
InChIKeyIHSXMPMJWJWETK-UHFFFAOYSA-N
XLogP4.47
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.79
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea (CID 1478523) is 1-[1-[(4-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea is O=C(Nc1ccc(F)cc1F)Nc1cccn(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea?
The InChIKey is IHSXMPMJWJWETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N3O2/c20-13-5-3-12(4-6-13)11-25-9-1-2-17(18(25)26)24-19(27)23-16-8-7-14(21)10-15(16)22/h1-10H,11H2,(H2,23,24,27).
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea?
1-[1-[(4-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea has a molecular weight of 389.79 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 1478523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).