2,4-difluoro-N-[3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-3-oxopropyl]benzamide

C23H23F3N4O2 — CID 55766799

IUPAC2,4-difluoro-N-[3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-3-oxopropyl]benzamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)CCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C23H23F3N4O2/c1-30(22(31)10-11-27-23(32)19-9-8-17(25)13-20(19)26)12-2-3-18-14-21(29-28-18)15-4-6-16(24)7-5-15/h4-9,13-14H,2-3,10-12H2,1H3,(H,27,32)(H,28,29)
InChIKeyHLQYOLJNLRLBNQ-UHFFFAOYSA-N
MW444.46 g/mol
LogP3.71
Rot. Bonds9

About 2,4-difluoro-N-[3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-3-oxopropyl]benzamide

2,4-difluoro-N-[3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-3-oxopropyl]benzamide (PubChem CID 55766799) has the molecular formula C23H23F3N4O2 and a molecular weight of 444.46 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-3-oxopropyl]benzamide
PubChem CID55766799
Molecular FormulaC23H23F3N4O2
Molecular Weight444.46 g/mol
Exact Mass444.18
IUPAC Name2,4-difluoro-N-[3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-3-oxopropyl]benzamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)CCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C23H23F3N4O2/c1-30(22(31)10-11-27-23(32)19-9-8-17(25)13-20(19)26)12-2-3-18-14-21(29-28-18)15-4-6-16(24)7-5-15/h4-9,13-14H,2-3,10-12H2,1H3,(H,27,32)(H,28,29)
InChIKeyHLQYOLJNLRLBNQ-UHFFFAOYSA-N
XLogP3.71
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-fluoro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
CID 55866365
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-methylphenyl)propanamide
CID 55766895
2,2-dimethyl-N-[3-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-oxopropyl]propanamide
CID 55970028
3-[[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid
CID 122019002
2,4-difluoro-N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]benzamide
CID 110886148
3,4-dichloro-N-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-2-oxoethyl]benzamide
CID 60518643
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119744579
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(2-oxo-1-pyridinyl)propanamide
CID 87020189
2,4-dichloro-N-[2-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-2-oxoethyl]benzamide
CID 60571055
2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 51192745
2-[[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetyl]-methylamino]-N-propylacetamide
CID 56570898
N-[3-[2-cyanopropyl(methyl)amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 47034526

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-3-oxopropyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-3-oxopropyl]benzamide (CID 55766799) is 2,4-difluoro-N-[3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-3-oxopropyl]benzamide is CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)CCNC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-3-oxopropyl]benzamide?
The InChIKey is HLQYOLJNLRLBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O2/c1-30(22(31)10-11-27-23(32)19-9-8-17(25)13-20(19)26)12-2-3-18-14-21(29-28-18)15-4-6-16(24)7-5-15/h4-9,13-14H,2-3,10-12H2,1H3,(H,27,32)(H,28,29).
What are the key properties of 2,4-difluoro-N-[3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-3-oxopropyl]benzamide?
2,4-difluoro-N-[3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-3-oxopropyl]benzamide has a molecular weight of 444.46 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 55766799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).