2-chloro-4-fluoro-N-[(S)-phenyl(pyridin-4-yl)methyl]benzamide

C19H14ClFN2O — CID 95278071

IUPAC2-chloro-4-fluoro-N-[(S)-phenyl(pyridin-4-yl)methyl]benzamide
SMILESO=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccc(F)cc1Cl
InChIInChI=1S/C19H14ClFN2O/c20-17-12-15(21)6-7-16(17)19(24)23-18(13-4-2-1-3-5-13)14-8-10-22-11-9-14/h1-12,18H,(H,23,24)/t18-/m0/s1
InChIKeyQSOUTAUGWAKCNV-SFHVURJKSA-N
MW340.79 g/mol
LogP4.39
Rot. Bonds4

About 2-chloro-4-fluoro-N-[(S)-phenyl(pyridin-4-yl)methyl]benzamide

2-chloro-4-fluoro-N-[(S)-phenyl(pyridin-4-yl)methyl]benzamide (PubChem CID 95278071) has the molecular formula C19H14ClFN2O and a molecular weight of 340.79 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[(S)-phenyl(pyridin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[(S)-phenyl(pyridin-4-yl)methyl]benzamide
PubChem CID95278071
Molecular FormulaC19H14ClFN2O
Molecular Weight340.79 g/mol
Exact Mass340.08
IUPAC Name2-chloro-4-fluoro-N-[(S)-phenyl(pyridin-4-yl)methyl]benzamide
SMILESO=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccc(F)cc1Cl
InChIInChI=1S/C19H14ClFN2O/c20-17-12-15(21)6-7-16(17)19(24)23-18(13-4-2-1-3-5-13)14-8-10-22-11-9-14/h1-12,18H,(H,23,24)/t18-/m0/s1
InChIKeyQSOUTAUGWAKCNV-SFHVURJKSA-N
XLogP4.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[(S)-phenyl(pyridin-4-yl)methyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[(S)-phenyl(pyridin-4-yl)methyl]benzamide (CID 95278071) is 2-chloro-4-fluoro-N-[(S)-phenyl(pyridin-4-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[(S)-phenyl(pyridin-4-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[(S)-phenyl(pyridin-4-yl)methyl]benzamide is O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[(S)-phenyl(pyridin-4-yl)methyl]benzamide?
The InChIKey is QSOUTAUGWAKCNV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H14ClFN2O/c20-17-12-15(21)6-7-16(17)19(24)23-18(13-4-2-1-3-5-13)14-8-10-22-11-9-14/h1-12,18H,(H,23,24)/t18-/m0/s1.
What are the key properties of 2-chloro-4-fluoro-N-[(S)-phenyl(pyridin-4-yl)methyl]benzamide?
2-chloro-4-fluoro-N-[(S)-phenyl(pyridin-4-yl)methyl]benzamide has a molecular weight of 340.79 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[(S)-phenyl(pyridin-4-yl)methyl]benzamide is sourced from PubChem (CID 95278071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).