4-bromo-3-fluoro-N-[phenyl(pyridin-2-yl)methyl]benzamide

C19H14BrFN2O — CID 86851550

IUPAC4-bromo-3-fluoro-N-[phenyl(pyridin-2-yl)methyl]benzamide
SMILESO=C(NC(c1ccccc1)c1ccccn1)c1ccc(Br)c(F)c1
InChIInChI=1S/C19H14BrFN2O/c20-15-10-9-14(12-16(15)21)19(24)23-18(13-6-2-1-3-7-13)17-8-4-5-11-22-17/h1-12,18H,(H,23,24)
InChIKeyXHRCMGXDFSIITI-UHFFFAOYSA-N
MW385.24 g/mol
LogP4.50
Rot. Bonds4

About 4-bromo-3-fluoro-N-[phenyl(pyridin-2-yl)methyl]benzamide

4-bromo-3-fluoro-N-[phenyl(pyridin-2-yl)methyl]benzamide (PubChem CID 86851550) has the molecular formula C19H14BrFN2O and a molecular weight of 385.24 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-[phenyl(pyridin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-[phenyl(pyridin-2-yl)methyl]benzamide
PubChem CID86851550
Molecular FormulaC19H14BrFN2O
Molecular Weight385.24 g/mol
Exact Mass384.03
IUPAC Name4-bromo-3-fluoro-N-[phenyl(pyridin-2-yl)methyl]benzamide
SMILESO=C(NC(c1ccccc1)c1ccccn1)c1ccc(Br)c(F)c1
InChIInChI=1S/C19H14BrFN2O/c20-15-10-9-14(12-16(15)21)19(24)23-18(13-6-2-1-3-7-13)17-8-4-5-11-22-17/h1-12,18H,(H,23,24)
InChIKeyXHRCMGXDFSIITI-UHFFFAOYSA-N
XLogP4.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.24
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-oxo-N-[(R)-phenyl(pyridin-2-yl)methyl]pyridine-4-carboxamide
CID 94001377
2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
CID 51885946
2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide
CID 134052696
4-bromo-N-(2-chloro-1-phenylethyl)-3-fluorobenzamide
CID 114300186
4-(difluoromethylsulfanyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 134025916
3-benzamido-4-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 51939981
3,5-dimethoxy-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 25392445
6-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 95568756
3-(carbamoylamino)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 78779505
N-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 78799117
4-bromo-3-fluoro-N-(1-phenylbutyl)benzamide
CID 63524586
3-(methylsulfinylmethyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 46550377

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-[phenyl(pyridin-2-yl)methyl]benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-[phenyl(pyridin-2-yl)methyl]benzamide (CID 86851550) is 4-bromo-3-fluoro-N-[phenyl(pyridin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-[phenyl(pyridin-2-yl)methyl]benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-[phenyl(pyridin-2-yl)methyl]benzamide is O=C(NC(c1ccccc1)c1ccccn1)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-[phenyl(pyridin-2-yl)methyl]benzamide?
The InChIKey is XHRCMGXDFSIITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrFN2O/c20-15-10-9-14(12-16(15)21)19(24)23-18(13-6-2-1-3-7-13)17-8-4-5-11-22-17/h1-12,18H,(H,23,24).
What are the key properties of 4-bromo-3-fluoro-N-[phenyl(pyridin-2-yl)methyl]benzamide?
4-bromo-3-fluoro-N-[phenyl(pyridin-2-yl)methyl]benzamide has a molecular weight of 385.24 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-[phenyl(pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 86851550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).