2-fluoro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide

C27H24F2N4O2 — CID 1052048

IUPAC2-fluoro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(=O)c1ccccc1F
InChIInChI=1S/C27H24F2N4O2/c1-2-16-32(27(35)22-10-6-7-11-23(22)29)18-26(34)30-25-17-24(19-8-4-3-5-9-19)31-33(25)21-14-12-20(28)13-15-21/h3-15,17H,2,16,18H2,1H3,(H,30,34)
InChIKeyRKHWWVXUANLEEQ-UHFFFAOYSA-N
MW474.51 g/mol
LogP5.31
Rot. Bonds8

About 2-fluoro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide

2-fluoro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide (PubChem CID 1052048) has the molecular formula C27H24F2N4O2 and a molecular weight of 474.51 g/mol. Its IUPAC name is 2-fluoro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide
PubChem CID1052048
Molecular FormulaC27H24F2N4O2
Molecular Weight474.51 g/mol
Exact Mass474.19
IUPAC Name2-fluoro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(=O)c1ccccc1F
InChIInChI=1S/C27H24F2N4O2/c1-2-16-32(27(35)22-10-6-7-11-23(22)29)18-26(34)30-25-17-24(19-8-4-3-5-9-19)31-33(25)21-14-12-20(28)13-15-21/h3-15,17H,2,16,18H2,1H3,(H,30,34)
InChIKeyRKHWWVXUANLEEQ-UHFFFAOYSA-N
XLogP5.31
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.51
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide
CID 42732051
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methyl-N-propylpropanamide
CID 1062343
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide
CID 42732056
N-ethyl-2-fluoro-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide
CID 42731982
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-methyl-N-propylbutanamide
CID 4024168
2-[(4-chlorophenyl)carbamoyl-propylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 4216356
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-phenyl-N-propylpropanamide
CID 1062345
N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-propylamino]acetamide
CID 4587555
2-[(2,3-dimethylphenyl)carbamoyl-propylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 5040656
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-methyl-3-nitro-N-propylbenzamide
CID 3425130
2-[(2-fluorophenyl)carbamoyl-pentylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3491735
2-[(2-ethoxyphenyl)carbamoyl-propylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3686030

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide?
The IUPAC name of 2-fluoro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide (CID 1052048) is 2-fluoro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide.
What is the SMILES notation for 2-fluoro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide?
The canonical SMILES for 2-fluoro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide is CCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide?
The InChIKey is RKHWWVXUANLEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N4O2/c1-2-16-32(27(35)22-10-6-7-11-23(22)29)18-26(34)30-25-17-24(19-8-4-3-5-9-19)31-33(25)21-14-12-20(28)13-15-21/h3-15,17H,2,16,18H2,1H3,(H,30,34).
What are the key properties of 2-fluoro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide?
2-fluoro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide has a molecular weight of 474.51 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide is sourced from PubChem (CID 1052048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).