3-fluoro-N-[(1S)-1-naphthalen-1-ylethyl]-4-pyridin-4-ylbenzamide

C24H19FN2O — CID 68512371

IUPAC3-fluoro-N-[(1S)-1-naphthalen-1-ylethyl]-4-pyridin-4-ylbenzamide
SMILESC[C@H](NC(=O)c1ccc(-c2ccncc2)c(F)c1)c1cccc2ccccc12
InChIInChI=1S/C24H19FN2O/c1-16(20-8-4-6-17-5-2-3-7-21(17)20)27-24(28)19-9-10-22(23(25)15-19)18-11-13-26-14-12-18/h2-16H,1H3,(H,27,28)/t16-/m0/s1
InChIKeyPJYQHMDMGMJOPR-INIZCTEOSA-N
MW370.43 g/mol
LogP5.53
Rot. Bonds4

About 3-fluoro-N-[(1S)-1-naphthalen-1-ylethyl]-4-pyridin-4-ylbenzamide

3-fluoro-N-[(1S)-1-naphthalen-1-ylethyl]-4-pyridin-4-ylbenzamide (PubChem CID 68512371) has the molecular formula C24H19FN2O and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-fluoro-N-[(1S)-1-naphthalen-1-ylethyl]-4-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[(1S)-1-naphthalen-1-ylethyl]-4-pyridin-4-ylbenzamide
PubChem CID68512371
Molecular FormulaC24H19FN2O
Molecular Weight370.43 g/mol
Exact Mass370.15
IUPAC Name3-fluoro-N-[(1S)-1-naphthalen-1-ylethyl]-4-pyridin-4-ylbenzamide
SMILESC[C@H](NC(=O)c1ccc(-c2ccncc2)c(F)c1)c1cccc2ccccc12
InChIInChI=1S/C24H19FN2O/c1-16(20-8-4-6-17-5-2-3-7-21(17)20)27-24(28)19-9-10-22(23(25)15-19)18-11-13-26-14-12-18/h2-16H,1H3,(H,27,28)/t16-/m0/s1
InChIKeyPJYQHMDMGMJOPR-INIZCTEOSA-N
XLogP5.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.43
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-pyridin-4-ylbenzamide
CID 68515087
N-(1-naphthalen-1-ylethyl)-2,3-diphenylquinoxaline-6-carboxamide
CID 43853062
3-methoxy-N-[(1R)-1-naphthalen-1-ylethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118663073
3-(3-hydroxyprop-1-ynyl)-N-(1-naphthalen-1-ylethyl)benzamide
CID 155963043
N-(1-naphthalen-1-ylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51087859
3,5-dichloro-4-hydroxy-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 59038441
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
4-methylsulfonyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 9439131
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387168
N-(1-naphthalen-1-ylethyl)-4-propan-2-ylsulfonylbenzamide
CID 55757507

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1S)-1-naphthalen-1-ylethyl]-4-pyridin-4-ylbenzamide?
The IUPAC name of 3-fluoro-N-[(1S)-1-naphthalen-1-ylethyl]-4-pyridin-4-ylbenzamide (CID 68512371) is 3-fluoro-N-[(1S)-1-naphthalen-1-ylethyl]-4-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-[(1S)-1-naphthalen-1-ylethyl]-4-pyridin-4-ylbenzamide?
The canonical SMILES for 3-fluoro-N-[(1S)-1-naphthalen-1-ylethyl]-4-pyridin-4-ylbenzamide is C[C@H](NC(=O)c1ccc(-c2ccncc2)c(F)c1)c1cccc2ccccc12.
What is the InChIKey of 3-fluoro-N-[(1S)-1-naphthalen-1-ylethyl]-4-pyridin-4-ylbenzamide?
The InChIKey is PJYQHMDMGMJOPR-INIZCTEOSA-N. The full InChI is InChI=1S/C24H19FN2O/c1-16(20-8-4-6-17-5-2-3-7-21(17)20)27-24(28)19-9-10-22(23(25)15-19)18-11-13-26-14-12-18/h2-16H,1H3,(H,27,28)/t16-/m0/s1.
What are the key properties of 3-fluoro-N-[(1S)-1-naphthalen-1-ylethyl]-4-pyridin-4-ylbenzamide?
3-fluoro-N-[(1S)-1-naphthalen-1-ylethyl]-4-pyridin-4-ylbenzamide has a molecular weight of 370.43 g/mol, XLogP of 5.53, 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-naphthalen-1-ylethyl]-4-pyridin-4-ylbenzamide is sourced from PubChem (CID 68512371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).