2-chloro-N-[3-fluoro-1-hydroxy-1-(4-pyridin-3-ylphenyl)propan-2-yl]propanamide

C17H18ClFN2O2 — CID 23570546

IUPAC2-chloro-N-[3-fluoro-1-hydroxy-1-(4-pyridin-3-ylphenyl)propan-2-yl]propanamide
SMILESCC(Cl)C(=O)NC(CF)C(O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C17H18ClFN2O2/c1-11(18)17(23)21-15(9-19)16(22)13-6-4-12(5-7-13)14-3-2-8-20-10-14/h2-8,10-11,15-16,22H,9H2,1H3,(H,21,23)
InChIKeyMYRUZQWSBKUNJS-UHFFFAOYSA-N
MW336.79 g/mol
LogP2.86
Rot. Bonds6

About 2-chloro-N-[3-fluoro-1-hydroxy-1-(4-pyridin-3-ylphenyl)propan-2-yl]propanamide

2-chloro-N-[3-fluoro-1-hydroxy-1-(4-pyridin-3-ylphenyl)propan-2-yl]propanamide (PubChem CID 23570546) has the molecular formula C17H18ClFN2O2 and a molecular weight of 336.79 g/mol. Its IUPAC name is 2-chloro-N-[3-fluoro-1-hydroxy-1-(4-pyridin-3-ylphenyl)propan-2-yl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[3-fluoro-1-hydroxy-1-(4-pyridin-3-ylphenyl)propan-2-yl]propanamide
PubChem CID23570546
Molecular FormulaC17H18ClFN2O2
Molecular Weight336.79 g/mol
Exact Mass336.10
IUPAC Name2-chloro-N-[3-fluoro-1-hydroxy-1-(4-pyridin-3-ylphenyl)propan-2-yl]propanamide
SMILESCC(Cl)C(=O)NC(CF)C(O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C17H18ClFN2O2/c1-11(18)17(23)21-15(9-19)16(22)13-6-4-12(5-7-13)14-3-2-8-20-10-14/h2-8,10-11,15-16,22H,9H2,1H3,(H,21,23)
InChIKeyMYRUZQWSBKUNJS-UHFFFAOYSA-N
XLogP2.86
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-pyridin-3-ylphenyl)propan-2-yl]acetamide
CID 58631163
2,2-dichloro-N-[(1R,2S)-3-fluoro-1-(2-fluoro-4-pyridin-3-ylphenyl)-1-hydroxypropan-2-yl]acetamide
CID 58631125
N-[1-[4-(6-bromo-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-dichloroacetamide
CID 88924293
2,2-dichloro-N-[3-fluoro-1-hydroxy-1-(4-pyridazin-3-ylphenyl)propan-2-yl]acetamide
CID 10150184
2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 81405185
N-[(1R,2S)-1-[4-(4-acetylphenyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-dichloroacetamide
CID 58631081
(1R,2S)-2-amino-3-fluoro-1-(4-pyridin-3-ylphenyl)propan-1-ol
CID 71050048
2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-pyridin-2-ylphenyl)propan-2-yl]acetamide
CID 58631087
2,2-dichloro-N-[3-fluoro-1-hydroxy-1-[4-[6-[1-(methanesulfonamido)ethyl]-3-pyridinyl]phenyl]propan-2-yl]acetamide
CID 123653877
2,2-dichloro-N-[3-fluoro-1-hydroxy-1-[4-(1,2-oxazol-5-yl)phenyl]propan-2-yl]acetamide
CID 23570499
2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-[6-(imidazol-1-ylmethyl)-3-pyridinyl]phenyl]propan-2-yl]acetamide
CID 86695391
N-[1-[4-[6-[(carbamoylamino)methyl]-3-pyridinyl]phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-dichloroacetamide
CID 123677218

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-fluoro-1-hydroxy-1-(4-pyridin-3-ylphenyl)propan-2-yl]propanamide?
The IUPAC name of 2-chloro-N-[3-fluoro-1-hydroxy-1-(4-pyridin-3-ylphenyl)propan-2-yl]propanamide (CID 23570546) is 2-chloro-N-[3-fluoro-1-hydroxy-1-(4-pyridin-3-ylphenyl)propan-2-yl]propanamide.
What is the SMILES notation for 2-chloro-N-[3-fluoro-1-hydroxy-1-(4-pyridin-3-ylphenyl)propan-2-yl]propanamide?
The canonical SMILES for 2-chloro-N-[3-fluoro-1-hydroxy-1-(4-pyridin-3-ylphenyl)propan-2-yl]propanamide is CC(Cl)C(=O)NC(CF)C(O)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of 2-chloro-N-[3-fluoro-1-hydroxy-1-(4-pyridin-3-ylphenyl)propan-2-yl]propanamide?
The InChIKey is MYRUZQWSBKUNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O2/c1-11(18)17(23)21-15(9-19)16(22)13-6-4-12(5-7-13)14-3-2-8-20-10-14/h2-8,10-11,15-16,22H,9H2,1H3,(H,21,23).
What are the key properties of 2-chloro-N-[3-fluoro-1-hydroxy-1-(4-pyridin-3-ylphenyl)propan-2-yl]propanamide?
2-chloro-N-[3-fluoro-1-hydroxy-1-(4-pyridin-3-ylphenyl)propan-2-yl]propanamide has a molecular weight of 336.79 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-fluoro-1-hydroxy-1-(4-pyridin-3-ylphenyl)propan-2-yl]propanamide is sourced from PubChem (CID 23570546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).