2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide

C19H14F2N2O — CID 51885946

IUPAC2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
SMILESO=C(N[C@@H](c1ccccc1)c1ccccn1)c1cc(F)ccc1F
InChIInChI=1S/C19H14F2N2O/c20-14-9-10-16(21)15(12-14)19(24)23-18(13-6-2-1-3-7-13)17-8-4-5-11-22-17/h1-12,18H,(H,23,24)/t18-/m0/s1
InChIKeyPJDMGBVPCPXCDR-SFHVURJKSA-N
MW324.33 g/mol
LogP3.88
Rot. Bonds4

About 2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide

2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide (PubChem CID 51885946) has the molecular formula C19H14F2N2O and a molecular weight of 324.33 g/mol. Its IUPAC name is 2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
PubChem CID51885946
Molecular FormulaC19H14F2N2O
Molecular Weight324.33 g/mol
Exact Mass324.11
IUPAC Name2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
SMILESO=C(N[C@@H](c1ccccc1)c1ccccn1)c1cc(F)ccc1F
InChIInChI=1S/C19H14F2N2O/c20-14-9-10-16(21)15(12-14)19(24)23-18(13-6-2-1-3-7-13)17-8-4-5-11-22-17/h1-12,18H,(H,23,24)/t18-/m0/s1
InChIKeyPJDMGBVPCPXCDR-SFHVURJKSA-N
XLogP3.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[phenyl(pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 44765282
4-bromo-3-fluoro-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 86851550
N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 95907078
5-chloro-2-methoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
CID 93157403
2-methyl-N-[phenyl(pyridin-2-yl)methyl]furan-3-carboxamide
CID 46554509
2,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 78779504
2,4-dimethoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 44765343
3,5-dimethoxy-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 25392445
2,5-difluoro-N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 95099799
1-[2-(3-fluorophenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea
CID 36962476
2-chloro-4-fluoro-N-[(S)-phenyl(pyridin-4-yl)methyl]benzamide
CID 95278071
2,5-difluoro-N-[(R)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 95099906

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide?
The IUPAC name of 2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide (CID 51885946) is 2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide is O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide?
The InChIKey is PJDMGBVPCPXCDR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H14F2N2O/c20-14-9-10-16(21)15(12-14)19(24)23-18(13-6-2-1-3-7-13)17-8-4-5-11-22-17/h1-12,18H,(H,23,24)/t18-/m0/s1.
What are the key properties of 2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide?
2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide has a molecular weight of 324.33 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 51885946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).