N-[3-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide

C26H22N4O3 — CID 46468222

IUPACN-[3-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1cccc(NC(=O)Cc2coc3ccc4ccccc4c23)c1)n1cccn1
InChIInChI=1S/C26H22N4O3/c1-17(30-13-5-12-27-30)26(32)29-21-8-4-7-20(15-21)28-24(31)14-19-16-33-23-11-10-18-6-2-3-9-22(18)25(19)23/h2-13,15-17H,14H2,1H3,(H,28,31)(H,29,32)
InChIKeyPTVWUPOHLZAKFR-UHFFFAOYSA-N
MW438.49 g/mol
LogP5.16
Rot. Bonds6

About N-[3-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide

N-[3-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide (PubChem CID 46468222) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is N-[3-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide
PubChem CID46468222
Molecular FormulaC26H22N4O3
Molecular Weight438.49 g/mol
Exact Mass438.17
IUPAC NameN-[3-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1cccc(NC(=O)Cc2coc3ccc4ccccc4c23)c1)n1cccn1
InChIInChI=1S/C26H22N4O3/c1-17(30-13-5-12-27-30)26(32)29-21-8-4-7-20(15-21)28-24(31)14-19-16-33-23-11-10-18-6-2-3-9-22(18)25(19)23/h2-13,15-17H,14H2,1H3,(H,28,31)(H,29,32)
InChIKeyPTVWUPOHLZAKFR-UHFFFAOYSA-N
XLogP5.16
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 46432285
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
N-[3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 46440831
2-benzo[e][1]benzofuran-1-yl-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide
CID 55833347
N-[3-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 43068731
N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 42958650
N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide
CID 46468407
2-benzo[e][1]benzofuran-1-yl-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide
CID 46582553
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 7901535
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
2-benzo[e][1]benzofuran-1-yl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 7915193
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 119717845

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[3-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide (CID 46468222) is N-[3-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[3-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[3-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide is CC(C(=O)Nc1cccc(NC(=O)Cc2coc3ccc4ccccc4c23)c1)n1cccn1.
What is the InChIKey of N-[3-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is PTVWUPOHLZAKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3/c1-17(30-13-5-12-27-30)26(32)29-21-8-4-7-20(15-21)28-24(31)14-19-16-33-23-11-10-18-6-2-3-9-22(18)25(19)23/h2-13,15-17H,14H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-[3-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide?
N-[3-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 438.49 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 46468222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).