N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-pyrazol-1-ylpropanamide

C22H23FN4O2 — CID 87045585

IUPACN-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-pyrazol-1-ylpropanamide
SMILESCC(NC(=O)CCn1cccn1)c1cccc(NC(=O)Cc2ccccc2F)c1
InChIInChI=1S/C22H23FN4O2/c1-16(25-21(28)10-13-27-12-5-11-24-27)17-7-4-8-19(14-17)26-22(29)15-18-6-2-3-9-20(18)23/h2-9,11-12,14,16H,10,13,15H2,1H3,(H,25,28)(H,26,29)
InChIKeyLTIUMVSYTRTWOG-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.47
Rot. Bonds8

About N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-pyrazol-1-ylpropanamide

N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-pyrazol-1-ylpropanamide (PubChem CID 87045585) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-pyrazol-1-ylpropanamide
PubChem CID87045585
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC NameN-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-pyrazol-1-ylpropanamide
SMILESCC(NC(=O)CCn1cccn1)c1cccc(NC(=O)Cc2ccccc2F)c1
InChIInChI=1S/C22H23FN4O2/c1-16(25-21(28)10-13-27-12-5-11-24-27)17-7-4-8-19(14-17)26-22(29)15-18-6-2-3-9-20(18)23/h2-9,11-12,14,16H,10,13,15H2,1H3,(H,25,28)(H,26,29)
InChIKeyLTIUMVSYTRTWOG-UHFFFAOYSA-N
XLogP3.47
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-propan-2-yloxypropanamide
CID 87001497
2-amino-N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-methoxypropanamide
CID 120986194
N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyrazol-1-ylpropanamide
CID 97089030
N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]oxolane-3-carboxamide
CID 86849698
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8700805
N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339322
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide
CID 86979952
2-(2-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 6470392
N'-[1-(2-fluorophenyl)propan-2-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]oxamide
CID 86831517
2-fluoro-N-[3-methyl-1-oxo-1-[3-(2-pyrazol-1-ylethoxy)anilino]butan-2-yl]benzamide
CID 55767418
N-[(1S)-1-(3-acetamidophenyl)ethyl]-4-(2-fluorophenoxy)butanamide
CID 52509760
N-[(2S)-1-(2-bromophenyl)propan-2-yl]-3-pyrazol-1-ylpropanamide
CID 97087813

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-pyrazol-1-ylpropanamide (CID 87045585) is N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-pyrazol-1-ylpropanamide is CC(NC(=O)CCn1cccn1)c1cccc(NC(=O)Cc2ccccc2F)c1.
What is the InChIKey of N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is LTIUMVSYTRTWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-16(25-21(28)10-13-27-12-5-11-24-27)17-7-4-8-19(14-17)26-22(29)15-18-6-2-3-9-20(18)23/h2-9,11-12,14,16H,10,13,15H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-pyrazol-1-ylpropanamide?
N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 394.45 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 87045585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).