3-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-pyridin-4-ylbenzamide

C20H16F2N2O — CID 68515087

IUPAC3-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-pyridin-4-ylbenzamide
SMILESC[C@H](NC(=O)c1ccc(-c2ccncc2)c(F)c1)c1ccc(F)cc1
InChIInChI=1S/C20H16F2N2O/c1-13(14-2-5-17(21)6-3-14)24-20(25)16-4-7-18(19(22)12-16)15-8-10-23-11-9-15/h2-13H,1H3,(H,24,25)/t13-/m0/s1
InChIKeyXLULJZJLIKBSLQ-ZDUSSCGKSA-N
MW338.36 g/mol
LogP4.52
Rot. Bonds4

About 3-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-pyridin-4-ylbenzamide

3-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-pyridin-4-ylbenzamide (PubChem CID 68515087) has the molecular formula C20H16F2N2O and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-pyridin-4-ylbenzamide
PubChem CID68515087
Molecular FormulaC20H16F2N2O
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name3-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-pyridin-4-ylbenzamide
SMILESC[C@H](NC(=O)c1ccc(-c2ccncc2)c(F)c1)c1ccc(F)cc1
InChIInChI=1S/C20H16F2N2O/c1-13(14-2-5-17(21)6-3-14)24-20(25)16-4-7-18(19(22)12-16)15-8-10-23-11-9-15/h2-13H,1H3,(H,24,25)/t13-/m0/s1
InChIKeyXLULJZJLIKBSLQ-ZDUSSCGKSA-N
XLogP4.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[(1S)-1-naphthalen-1-ylethyl]-4-pyridin-4-ylbenzamide
CID 68512371
3-fluoro-4-nitro-N-(1-pyridin-4-ylethyl)benzamide
CID 62681450
3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 103706387
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-hydroxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662948
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716
4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide
CID 17330741
2,4-difluoro-N-(1-pyridin-4-ylethyl)benzamide
CID 43006008
3-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 90375300
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 2449849

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-pyridin-4-ylbenzamide?
The IUPAC name of 3-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-pyridin-4-ylbenzamide (CID 68515087) is 3-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-pyridin-4-ylbenzamide?
The canonical SMILES for 3-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-pyridin-4-ylbenzamide is C[C@H](NC(=O)c1ccc(-c2ccncc2)c(F)c1)c1ccc(F)cc1.
What is the InChIKey of 3-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-pyridin-4-ylbenzamide?
The InChIKey is XLULJZJLIKBSLQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H16F2N2O/c1-13(14-2-5-17(21)6-3-14)24-20(25)16-4-7-18(19(22)12-16)15-8-10-23-11-9-15/h2-13H,1H3,(H,24,25)/t13-/m0/s1.
What are the key properties of 3-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-pyridin-4-ylbenzamide?
3-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-pyridin-4-ylbenzamide has a molecular weight of 338.36 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-pyridin-4-ylbenzamide is sourced from PubChem (CID 68515087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).