2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide

C14H13FN2O — CID 40585288

IUPAC2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1F)c1ccncc1
InChIInChI=1S/C14H13FN2O/c1-10(11-6-8-16-9-7-11)17-14(18)12-4-2-3-5-13(12)15/h2-10H,1H3,(H,17,18)/t10-/m0/s1
InChIKeyAKUHURJFCOTJAK-JTQLQIEISA-N
MW244.27 g/mol
LogP2.71
Rot. Bonds3

About 2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide

2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide (PubChem CID 40585288) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
PubChem CID40585288
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1F)c1ccncc1
InChIInChI=1S/C14H13FN2O/c1-10(11-6-8-16-9-7-11)17-14(18)12-4-2-3-5-13(12)15/h2-10H,1H3,(H,17,18)/t10-/m0/s1
InChIKeyAKUHURJFCOTJAK-JTQLQIEISA-N
XLogP2.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46590164
2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 42955470
2,4-difluoro-N-(1-pyridin-4-ylethyl)benzamide
CID 43006008
2-fluoro-5-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 62511341
3-(2-fluorophenyl)-N-(1-pyridin-4-ylethyl)but-2-enamide
CID 103598516
4-amino-2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 107794749
2-propan-2-ylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 95375385
2,3-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide
CID 114343947
2-chloro-4,5-difluoro-N-(1-pyridin-4-ylethyl)benzamide
CID 2970246
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide
CID 94062816
5-amino-2,4-difluoro-N-(1-pyridin-4-ylethyl)benzamide
CID 61094421

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide?
The IUPAC name of 2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide (CID 40585288) is 2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide is C[C@H](NC(=O)c1ccccc1F)c1ccncc1.
What is the InChIKey of 2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide?
The InChIKey is AKUHURJFCOTJAK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13FN2O/c1-10(11-6-8-16-9-7-11)17-14(18)12-4-2-3-5-13(12)15/h2-10H,1H3,(H,17,18)/t10-/m0/s1.
What are the key properties of 2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide?
2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide has a molecular weight of 244.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide is sourced from PubChem (CID 40585288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).