4-fluoro-N-[2-oxo-2-[3-(2-pyrazol-1-ylethoxy)anilino]ethyl]benzamide

C20H19FN4O3 — CID 55766765

IUPAC4-fluoro-N-[2-oxo-2-[3-(2-pyrazol-1-ylethoxy)anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)Nc1cccc(OCCn2cccn2)c1
InChIInChI=1S/C20H19FN4O3/c21-16-7-5-15(6-8-16)20(27)22-14-19(26)24-17-3-1-4-18(13-17)28-12-11-25-10-2-9-23-25/h1-10,13H,11-12,14H2,(H,22,27)(H,24,26)
InChIKeyVZORIDWPWRLHQO-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.47
Rot. Bonds8

About 4-fluoro-N-[2-oxo-2-[3-(2-pyrazol-1-ylethoxy)anilino]ethyl]benzamide

4-fluoro-N-[2-oxo-2-[3-(2-pyrazol-1-ylethoxy)anilino]ethyl]benzamide (PubChem CID 55766765) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 4-fluoro-N-[2-oxo-2-[3-(2-pyrazol-1-ylethoxy)anilino]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-oxo-2-[3-(2-pyrazol-1-ylethoxy)anilino]ethyl]benzamide
PubChem CID55766765
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name4-fluoro-N-[2-oxo-2-[3-(2-pyrazol-1-ylethoxy)anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)Nc1cccc(OCCn2cccn2)c1
InChIInChI=1S/C20H19FN4O3/c21-16-7-5-15(6-8-16)20(27)22-14-19(26)24-17-3-1-4-18(13-17)28-12-11-25-10-2-9-23-25/h1-10,13H,11-12,14H2,(H,22,27)(H,24,26)
InChIKeyVZORIDWPWRLHQO-UHFFFAOYSA-N
XLogP2.47
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55767479
N-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide
CID 87039258
N-[3-(2-pyrazol-1-ylethoxy)phenyl]-2H-benzotriazole-4-carboxamide
CID 86804269
tert-butyl N-[3-[[3-(2-pyrazol-1-ylethoxy)phenyl]carbamoyl]phenyl]carbamate
CID 55766558
1-[3-(2-pyrazol-1-ylethoxy)phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55836595
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55880459
3-[5-(2-fluorophenyl)furan-2-yl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
CID 55767382
2-fluoro-N-[3-methyl-1-oxo-1-[3-(2-pyrazol-1-ylethoxy)anilino]butan-2-yl]benzamide
CID 55767418
4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 9412541
3-(4-fluorophenoxy)-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246724
1-[(2,4-dimethylphenyl)methyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 55836723
2-phenoxy-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyridine-3-carboxamide
CID 55880460

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-oxo-2-[3-(2-pyrazol-1-ylethoxy)anilino]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-oxo-2-[3-(2-pyrazol-1-ylethoxy)anilino]ethyl]benzamide (CID 55766765) is 4-fluoro-N-[2-oxo-2-[3-(2-pyrazol-1-ylethoxy)anilino]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-oxo-2-[3-(2-pyrazol-1-ylethoxy)anilino]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-oxo-2-[3-(2-pyrazol-1-ylethoxy)anilino]ethyl]benzamide is O=C(CNC(=O)c1ccc(F)cc1)Nc1cccc(OCCn2cccn2)c1.
What is the InChIKey of 4-fluoro-N-[2-oxo-2-[3-(2-pyrazol-1-ylethoxy)anilino]ethyl]benzamide?
The InChIKey is VZORIDWPWRLHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c21-16-7-5-15(6-8-16)20(27)22-14-19(26)24-17-3-1-4-18(13-17)28-12-11-25-10-2-9-23-25/h1-10,13H,11-12,14H2,(H,22,27)(H,24,26).
What are the key properties of 4-fluoro-N-[2-oxo-2-[3-(2-pyrazol-1-ylethoxy)anilino]ethyl]benzamide?
4-fluoro-N-[2-oxo-2-[3-(2-pyrazol-1-ylethoxy)anilino]ethyl]benzamide has a molecular weight of 382.40 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-oxo-2-[3-(2-pyrazol-1-ylethoxy)anilino]ethyl]benzamide is sourced from PubChem (CID 55766765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).