N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide

C21H21N5O3 — CID 46468407

IUPACN-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide
SMILESCC(C(=O)Nc1cccc(NC(=O)CNC(=O)c2ccccc2)c1)n1cccn1
InChIInChI=1S/C21H21N5O3/c1-15(26-12-6-11-23-26)20(28)25-18-10-5-9-17(13-18)24-19(27)14-22-21(29)16-7-3-2-4-8-16/h2-13,15H,14H2,1H3,(H,22,29)(H,24,27)(H,25,28)
InChIKeyOMIAKBGCOMQPPU-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.45
Rot. Bonds7

About N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide

N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide (PubChem CID 46468407) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide
PubChem CID46468407
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide
SMILESCC(C(=O)Nc1cccc(NC(=O)CNC(=O)c2ccccc2)c1)n1cccn1
InChIInChI=1S/C21H21N5O3/c1-15(26-12-6-11-23-26)20(28)25-18-10-5-9-17(13-18)24-19(27)14-22-21(29)16-7-3-2-4-8-16/h2-13,15H,14H2,1H3,(H,22,29)(H,24,27)(H,25,28)
InChIKeyOMIAKBGCOMQPPU-UHFFFAOYSA-N
XLogP2.45
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-methyl-1-oxo-1-[3-(2-pyrazol-1-ylpropanoylamino)anilino]pentan-2-yl]benzamide
CID 46468316
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide;hydrochloride
CID 119717862
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 119717845
N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 42958650
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46468293
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958661
4-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42959595
3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958662
3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427767
N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 46432285

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide (CID 46468407) is N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide is CC(C(=O)Nc1cccc(NC(=O)CNC(=O)c2ccccc2)c1)n1cccn1.
What is the InChIKey of N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide?
The InChIKey is OMIAKBGCOMQPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-15(26-12-6-11-23-26)20(28)25-18-10-5-9-17(13-18)24-19(27)14-22-21(29)16-7-3-2-4-8-16/h2-13,15H,14H2,1H3,(H,22,29)(H,24,27)(H,25,28).
What are the key properties of N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide?
N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide has a molecular weight of 391.43 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide is sourced from PubChem (CID 46468407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).