N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-2,5-difluorobenzamide

C19H12BrF3N2O2 — CID 22050043

IUPACN-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-2,5-difluorobenzamide
SMILESO=C(Nc1ccn(Cc2cccc(F)c2)c(=O)c1Br)c1cc(F)ccc1F
InChIInChI=1S/C19H12BrF3N2O2/c20-17-16(24-18(26)14-9-13(22)4-5-15(14)23)6-7-25(19(17)27)10-11-2-1-3-12(21)8-11/h1-9H,10H2,(H,24,26)
InChIKeyFRCAMTCBLNLLRO-UHFFFAOYSA-N
MW437.22 g/mol
LogP4.33
Rot. Bonds4

About N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-2,5-difluorobenzamide

N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-2,5-difluorobenzamide (PubChem CID 22050043) has the molecular formula C19H12BrF3N2O2 and a molecular weight of 437.22 g/mol. Its IUPAC name is N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-2,5-difluorobenzamide
PubChem CID22050043
Molecular FormulaC19H12BrF3N2O2
Molecular Weight437.22 g/mol
Exact Mass436.00
IUPAC NameN-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-2,5-difluorobenzamide
SMILESO=C(Nc1ccn(Cc2cccc(F)c2)c(=O)c1Br)c1cc(F)ccc1F
InChIInChI=1S/C19H12BrF3N2O2/c20-17-16(24-18(26)14-9-13(22)4-5-15(14)23)6-7-25(19(17)27)10-11-2-1-3-12(21)8-11/h1-9H,10H2,(H,24,26)
InChIKeyFRCAMTCBLNLLRO-UHFFFAOYSA-N
XLogP4.33
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.22
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-fluorobenzamide
CID 22050757
methyl 4-[[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]amino]benzoate
CID 22050988
4-amino-3-bromo-1-[(3-fluorophenyl)methyl]pyridin-2-one;hydrochloride
CID 22050881
N-(2,5-difluorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599222
3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylpyridin-2-one
CID 71201156
1-(4-chlorophenyl)-3-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea
CID 30859552
N-(2,5-difluorophenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755199
3-bromo-1-[(3-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridin-2-one;2,2,2-trifluoroacetic acid
CID 22051025
5-bromo-3-[(3-fluorophenyl)methyl]-6-hydroxypyrimidin-4-one
CID 135737352
methyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7597576
3-bromo-1-[(3-fluorophenyl)methyl]-4-piperazin-1-ylpyridin-2-one
CID 174481544
N-[2-(bromomethyl)phenyl]-2,5-difluorobenzamide
CID 113274477

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-2,5-difluorobenzamide?
The IUPAC name of N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-2,5-difluorobenzamide (CID 22050043) is N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-2,5-difluorobenzamide?
The canonical SMILES for N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-2,5-difluorobenzamide is O=C(Nc1ccn(Cc2cccc(F)c2)c(=O)c1Br)c1cc(F)ccc1F.
What is the InChIKey of N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-2,5-difluorobenzamide?
The InChIKey is FRCAMTCBLNLLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrF3N2O2/c20-17-16(24-18(26)14-9-13(22)4-5-15(14)23)6-7-25(19(17)27)10-11-2-1-3-12(21)8-11/h1-9H,10H2,(H,24,26).
What are the key properties of N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-2,5-difluorobenzamide?
N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-2,5-difluorobenzamide has a molecular weight of 437.22 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-2,5-difluorobenzamide is sourced from PubChem (CID 22050043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).