4-acetamido-N-(4-amino-5-fluoro-1-phenylpyrazol-3-yl)benzamide

C18H16FN5O2 — CID 16739136

IUPAC4-acetamido-N-(4-amino-5-fluoro-1-phenylpyrazol-3-yl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2nn(-c3ccccc3)c(F)c2N)cc1
InChIInChI=1S/C18H16FN5O2/c1-11(25)21-13-9-7-12(8-10-13)18(26)22-17-15(20)16(19)24(23-17)14-5-3-2-4-6-14/h2-10H,20H2,1H3,(H,21,25)(H,22,23,26)
InChIKeyOBFFHDXMOUCUOZ-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.80
Rot. Bonds4

About 4-acetamido-N-(4-amino-5-fluoro-1-phenylpyrazol-3-yl)benzamide

4-acetamido-N-(4-amino-5-fluoro-1-phenylpyrazol-3-yl)benzamide (PubChem CID 16739136) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is 4-acetamido-N-(4-amino-5-fluoro-1-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(4-amino-5-fluoro-1-phenylpyrazol-3-yl)benzamide
PubChem CID16739136
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name4-acetamido-N-(4-amino-5-fluoro-1-phenylpyrazol-3-yl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2nn(-c3ccccc3)c(F)c2N)cc1
InChIInChI=1S/C18H16FN5O2/c1-11(25)21-13-9-7-12(8-10-13)18(26)22-17-15(20)16(19)24(23-17)14-5-3-2-4-6-14/h2-10H,20H2,1H3,(H,21,25)(H,22,23,26)
InChIKeyOBFFHDXMOUCUOZ-UHFFFAOYSA-N
XLogP2.80
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(4-acetamidobenzoyl)amino]-1-phenylpyrazol-4-yl]carbamic acid
CID 69052738
4-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)benzamide
CID 78830462
N-(5-acetamido-1-phenyl-1,2,4-triazol-3-yl)benzamide
CID 134472153
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
CID 155141284
4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide
CID 21369168
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide
CID 27648779
N-(5-amino-4-methyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)acetamide
CID 122394997
[2-(4-acetamidophenyl)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 8575341
4-acetamido-N-(1-phenylethyl)benzamide
CID 2841785
N-[4-[[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 19150657

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(4-amino-5-fluoro-1-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 4-acetamido-N-(4-amino-5-fluoro-1-phenylpyrazol-3-yl)benzamide (CID 16739136) is 4-acetamido-N-(4-amino-5-fluoro-1-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-acetamido-N-(4-amino-5-fluoro-1-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-acetamido-N-(4-amino-5-fluoro-1-phenylpyrazol-3-yl)benzamide is CC(=O)Nc1ccc(C(=O)Nc2nn(-c3ccccc3)c(F)c2N)cc1.
What is the InChIKey of 4-acetamido-N-(4-amino-5-fluoro-1-phenylpyrazol-3-yl)benzamide?
The InChIKey is OBFFHDXMOUCUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-11(25)21-13-9-7-12(8-10-13)18(26)22-17-15(20)16(19)24(23-17)14-5-3-2-4-6-14/h2-10H,20H2,1H3,(H,21,25)(H,22,23,26).
What are the key properties of 4-acetamido-N-(4-amino-5-fluoro-1-phenylpyrazol-3-yl)benzamide?
4-acetamido-N-(4-amino-5-fluoro-1-phenylpyrazol-3-yl)benzamide has a molecular weight of 353.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(4-amino-5-fluoro-1-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 16739136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).