4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide

C13H10BrFN2O2 — CID 114761112

IUPAC4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(Cn2cccc(Br)c2=O)c(F)c1
InChIInChI=1S/C13H10BrFN2O2/c14-10-2-1-5-17(13(10)19)7-9-4-3-8(12(16)18)6-11(9)15/h1-6H,7H2,(H2,16,18)
InChIKeyDDCCCVGHFROVPT-UHFFFAOYSA-N
MW325.14 g/mol
LogP1.90
Rot. Bonds3

About 4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide

4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide (PubChem CID 114761112) has the molecular formula C13H10BrFN2O2 and a molecular weight of 325.14 g/mol. Its IUPAC name is 4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide
PubChem CID114761112
Molecular FormulaC13H10BrFN2O2
Molecular Weight325.14 g/mol
Exact Mass323.99
IUPAC Name4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(Cn2cccc(Br)c2=O)c(F)c1
InChIInChI=1S/C13H10BrFN2O2/c14-10-2-1-5-17(13(10)19)7-9-4-3-8(12(16)18)6-11(9)15/h1-6H,7H2,(H2,16,18)
InChIKeyDDCCCVGHFROVPT-UHFFFAOYSA-N
XLogP1.90
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-3-fluorobenzamide
CID 66308705
3-fluoro-4-[(2-oxopyrimidin-1-yl)methyl]benzamide
CID 116618428
4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide
CID 83133649
3-fluoro-4-(indol-1-ylmethyl)benzamide
CID 63810466
3-fluoro-4-[(4-oxo-1-pyridinyl)methyl]benzamide
CID 116622136
4-[(6-bromoindol-1-yl)methyl]-3-fluorobenzamide
CID 116621806
3-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-2-one
CID 114760822
1-[(4-amino-2-bromophenyl)methyl]-3-bromopyridin-2-one
CID 114760067
3-bromo-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one
CID 114760860
1-[(5-acetyl-2-methoxyphenyl)methyl]-3-bromopyridin-2-one
CID 114760634
N-(4-carbamoylphenyl)-1-[(2-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599031
2-amino-6-[(3-bromo-2-oxo-1-pyridinyl)methyl]benzoic acid
CID 114759968

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide?
The IUPAC name of 4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide (CID 114761112) is 4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide?
The canonical SMILES for 4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide is NC(=O)c1ccc(Cn2cccc(Br)c2=O)c(F)c1.
What is the InChIKey of 4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide?
The InChIKey is DDCCCVGHFROVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O2/c14-10-2-1-5-17(13(10)19)7-9-4-3-8(12(16)18)6-11(9)15/h1-6H,7H2,(H2,16,18).
What are the key properties of 4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide?
4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide has a molecular weight of 325.14 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide is sourced from PubChem (CID 114761112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).