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

C19H14BrF2N3O2 — CID 1450122

IUPAC1-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1cccn(Cc2ccccc2Br)c1=O
InChIInChI=1S/C19H14BrF2N3O2/c20-14-5-2-1-4-12(14)11-25-9-3-6-17(18(25)26)24-19(27)23-16-8-7-13(21)10-15(16)22/h1-10H,11H2,(H2,23,24,27)
InChIKeyCJHUVDUPJKZFKC-UHFFFAOYSA-N
MW434.24 g/mol
LogP4.58
Rot. Bonds4

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

1-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea (PubChem CID 1450122) has the molecular formula C19H14BrF2N3O2 and a molecular weight of 434.24 g/mol. Its IUPAC name is 1-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea
PubChem CID1450122
Molecular FormulaC19H14BrF2N3O2
Molecular Weight434.24 g/mol
Exact Mass433.02
IUPAC Name1-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1cccn(Cc2ccccc2Br)c1=O
InChIInChI=1S/C19H14BrF2N3O2/c20-14-5-2-1-4-12(14)11-25-9-3-6-17(18(25)26)24-19(27)23-16-8-7-13(21)10-15(16)22/h1-10H,11H2,(H2,23,24,27)
InChIKeyCJHUVDUPJKZFKC-UHFFFAOYSA-N
XLogP4.58
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.24
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea
CID 27138045
2-(2-bromophenyl)-N-(2,4-difluorophenyl)acetamide
CID 113098832
1-[(2-chlorophenyl)methyl]-N-(2,4-difluorophenyl)-2-oxopyridine-3-carboxamide
CID 7598500
2-(2-bromophenyl)-N-[2-(2,4-difluoroanilino)-2-oxoethyl]acetamide
CID 113000855
1-[1-[(2-bromophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 3231735
N-(1-benzyl-2-oxo-3-pyridinyl)-2-(3-fluorophenyl)acetamide
CID 71921768
1-[1-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea
CID 52946459
3-amino-1-[(2-bromophenyl)methyl]pyridin-2-one
CID 62102931
3-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-2-one
CID 114760822
1-(2-bromophenyl)-3-(4-fluoro-2-hydroxyphenyl)urea
CID 22011338
1-(3-chlorophenyl)-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea
CID 52947148
1-(4-bromo-2,5-difluorophenyl)-3-(2-fluorophenyl)urea
CID 107612572

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea (CID 1450122) is 1-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea is O=C(Nc1ccc(F)cc1F)Nc1cccn(Cc2ccccc2Br)c1=O.
What is the InChIKey of 1-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea?
The InChIKey is CJHUVDUPJKZFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrF2N3O2/c20-14-5-2-1-4-12(14)11-25-9-3-6-17(18(25)26)24-19(27)23-16-8-7-13(21)10-15(16)22/h1-10H,11H2,(H2,23,24,27).
What are the key properties of 1-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea?
1-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea has a molecular weight of 434.24 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 1450122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).