2-[[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]amino]acetamide

C24H21FN4O — CID 91457498

IUPAC2-[[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]amino]acetamide
SMILESNC(=O)CNC(c1cn[nH]c1)c1ccc(F)c(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C24H21FN4O/c25-22-11-10-19(24(27-15-23(26)30)20-13-28-29-14-20)12-21(22)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-14,24,27H,15H2,(H2,26,30)(H,28,29)
InChIKeyHXCWWDSZHGRCTL-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.05
Rot. Bonds7

About 2-[[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]amino]acetamide

2-[[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]amino]acetamide (PubChem CID 91457498) has the molecular formula C24H21FN4O and a molecular weight of 400.46 g/mol. Its IUPAC name is 2-[[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]amino]acetamide.

Molecular Properties

Compound Name2-[[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]amino]acetamide
PubChem CID91457498
Molecular FormulaC24H21FN4O
Molecular Weight400.46 g/mol
Exact Mass400.17
IUPAC Name2-[[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]amino]acetamide
SMILESNC(=O)CNC(c1cn[nH]c1)c1ccc(F)c(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C24H21FN4O/c25-22-11-10-19(24(27-15-23(26)30)20-13-28-29-14-20)12-21(22)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-14,24,27H,15H2,(H2,26,30)(H,28,29)
InChIKeyHXCWWDSZHGRCTL-UHFFFAOYSA-N
XLogP4.05
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]amino]acetamide with MolForge

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Related Compounds

[[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]amino] 3,3-dimethylbutanoate
CID 91466532
1-[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 91037937
1-[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]piperidin-4-one
CID 91467075
4-[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]morpholine-3,5-dione
CID 91077433
(3S)-3-amino-3-(4-fluoro-3-phenylphenyl)propanoic acid
CID 135365867
[[[3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]amino] 3,3-dimethylbutanoate
CID 90924127
2-[[(R)-(3-bromo-4-methoxyphenyl)-phenylmethyl]amino]acetamide
CID 95149839
2-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]acetamide
CID 8641426
2-[[(4-chlorophenyl)-(4-hydroxyphenyl)methyl]amino]acetamide
CID 16786371
1-(4-fluoro-3-phenylphenyl)-2-(methylamino)ethanol
CID 117365234
3-phenyl-2-(1H-pyrazol-4-yl)propanamide
CID 91102712
3-methyl-4-phenyl-4-(1H-pyrazol-4-yl)butanamide
CID 90178209

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]amino]acetamide?
The IUPAC name of 2-[[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]amino]acetamide (CID 91457498) is 2-[[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]amino]acetamide.
What is the SMILES notation for 2-[[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]amino]acetamide?
The canonical SMILES for 2-[[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]amino]acetamide is NC(=O)CNC(c1cn[nH]c1)c1ccc(F)c(-c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 2-[[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]amino]acetamide?
The InChIKey is HXCWWDSZHGRCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O/c25-22-11-10-19(24(27-15-23(26)30)20-13-28-29-14-20)12-21(22)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-14,24,27H,15H2,(H2,26,30)(H,28,29).
What are the key properties of 2-[[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]amino]acetamide?
2-[[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]amino]acetamide has a molecular weight of 400.46 g/mol, XLogP of 4.05, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-fluoro-3-(4-phenylphenyl)phenyl]-(1H-pyrazol-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 91457498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).