N-[(1S)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide

C15H18FN3O3 — CID 95204027

IUPACN-[(1S)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
SMILESC[C@H](NC(=O)CCC1=NNC(=O)CC1)c1ccc(O)c(F)c1
InChIInChI=1S/C15H18FN3O3/c1-9(10-2-5-13(20)12(16)8-10)17-14(21)6-3-11-4-7-15(22)19-18-11/h2,5,8-9,20H,3-4,6-7H2,1H3,(H,17,21)(H,19,22)/t9-/m0/s1
InChIKeyPFPXRNYVKAWVER-VIFPVBQESA-N
MW307.32 g/mol
LogP1.75
Rot. Bonds5

About N-[(1S)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide

N-[(1S)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide (PubChem CID 95204027) has the molecular formula C15H18FN3O3 and a molecular weight of 307.32 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
PubChem CID95204027
Molecular FormulaC15H18FN3O3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC NameN-[(1S)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
SMILESC[C@H](NC(=O)CCC1=NNC(=O)CC1)c1ccc(O)c(F)c1
InChIInChI=1S/C15H18FN3O3/c1-9(10-2-5-13(20)12(16)8-10)17-14(21)6-3-11-4-7-15(22)19-18-11/h2,5,8-9,20H,3-4,6-7H2,1H3,(H,17,21)(H,19,22)/t9-/m0/s1
InChIKeyPFPXRNYVKAWVER-VIFPVBQESA-N
XLogP1.75
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
CID 124757267
N-[1-(3,4-difluorophenyl)ethyl]butanamide
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N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 56705120
N-[1-(3-fluoro-4-methylphenyl)ethyl]-3-sulfanylpropanamide
CID 107032695
N-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 54924909
5-[1-(3,4-difluorophenyl)ethylamino]-5-oxopentanoic acid
CID 60662108
2-(2,6-difluorophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 122150911
2-fluoro-4-[(1R)-1-(methylamino)ethyl]phenol
CID 29038942
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716
2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol
CID 29080220
2-fluoro-4-[(1S)-1-(2-hydroxyethylamino)ethyl]phenol
CID 29038991
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]pentanamide
CID 43697347

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
The IUPAC name of N-[(1S)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide (CID 95204027) is N-[(1S)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide.
What is the SMILES notation for N-[(1S)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
The canonical SMILES for N-[(1S)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide is C[C@H](NC(=O)CCC1=NNC(=O)CC1)c1ccc(O)c(F)c1.
What is the InChIKey of N-[(1S)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
The InChIKey is PFPXRNYVKAWVER-VIFPVBQESA-N. The full InChI is InChI=1S/C15H18FN3O3/c1-9(10-2-5-13(20)12(16)8-10)17-14(21)6-3-11-4-7-15(22)19-18-11/h2,5,8-9,20H,3-4,6-7H2,1H3,(H,17,21)(H,19,22)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
N-[(1S)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide has a molecular weight of 307.32 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide is sourced from PubChem (CID 95204027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).