2,4-difluoro-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide

C18H14F2N4O2 — CID 55579201

IUPAC2,4-difluoro-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1F)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C18H14F2N4O2/c19-12-3-6-14(15(20)9-12)18(26)21-10-17(25)23-13-4-1-11(2-5-13)16-7-8-22-24-16/h1-9H,10H2,(H,21,26)(H,22,24)(H,23,25)
InChIKeyKROAMWAOSPWQAU-UHFFFAOYSA-N
MW356.33 g/mol
LogP2.72
Rot. Bonds5

About 2,4-difluoro-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide

2,4-difluoro-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide (PubChem CID 55579201) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide
PubChem CID55579201
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC Name2,4-difluoro-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1F)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C18H14F2N4O2/c19-12-3-6-14(15(20)9-12)18(26)21-10-17(25)23-13-4-1-11(2-5-13)16-7-8-22-24-16/h1-9H,10H2,(H,21,26)(H,22,24)(H,23,25)
InChIKeyKROAMWAOSPWQAU-UHFFFAOYSA-N
XLogP2.72
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-2-oxoethyl]benzamide
CID 24597375
2-amino-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]acetamide
CID 60850157
N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-2,4-difluorobenzamide
CID 38107976
4-bromo-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide
CID 55995142
N-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 29415155
N-[4-(1H-pyrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924427
2,4-difluoro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide
CID 55529533
N-[2-(3-benzamidoanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 55869846
2,4-difluoro-N-[4-oxo-4-[4-(1,3-thiazol-2-yl)anilino]butyl]benzamide
CID 24648849
3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 61248448
2,4-difluoro-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 51192153
2,4-difluoro-N-[4-oxo-4-[4-(triazol-2-yl)anilino]butyl]benzamide
CID 86998515

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide (CID 55579201) is 2,4-difluoro-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide is O=C(CNC(=O)c1ccc(F)cc1F)Nc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 2,4-difluoro-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide?
The InChIKey is KROAMWAOSPWQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c19-12-3-6-14(15(20)9-12)18(26)21-10-17(25)23-13-4-1-11(2-5-13)16-7-8-22-24-16/h1-9H,10H2,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of 2,4-difluoro-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide?
2,4-difluoro-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide has a molecular weight of 356.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide is sourced from PubChem (CID 55579201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).