N-[3-fluoro-4-(5-oxo-1H-pyrazol-2-yl)phenyl]-2-(2-oxoazepan-4-yl)acetamide

C17H19FN4O3 — CID 167873572

IUPACN-[3-fluoro-4-(5-oxo-1H-pyrazol-2-yl)phenyl]-2-(2-oxoazepan-4-yl)acetamide
SMILESO=C1CC(CC(=O)Nc2ccc(-n3ccc(=O)[nH]3)c(F)c2)CCCN1
InChIInChI=1S/C17H19FN4O3/c18-13-10-12(3-4-14(13)22-7-5-15(23)21-22)20-17(25)9-11-2-1-6-19-16(24)8-11/h3-5,7,10-11H,1-2,6,8-9H2,(H,19,24)(H,20,25)(H,21,23)
InChIKeyDIIJGHDAVHOINS-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.55
Rot. Bonds4

About N-[3-fluoro-4-(5-oxo-1H-pyrazol-2-yl)phenyl]-2-(2-oxoazepan-4-yl)acetamide

N-[3-fluoro-4-(5-oxo-1H-pyrazol-2-yl)phenyl]-2-(2-oxoazepan-4-yl)acetamide (PubChem CID 167873572) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is N-[3-fluoro-4-(5-oxo-1H-pyrazol-2-yl)phenyl]-2-(2-oxoazepan-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(5-oxo-1H-pyrazol-2-yl)phenyl]-2-(2-oxoazepan-4-yl)acetamide
PubChem CID167873572
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC NameN-[3-fluoro-4-(5-oxo-1H-pyrazol-2-yl)phenyl]-2-(2-oxoazepan-4-yl)acetamide
SMILESO=C1CC(CC(=O)Nc2ccc(-n3ccc(=O)[nH]3)c(F)c2)CCCN1
InChIInChI=1S/C17H19FN4O3/c18-13-10-12(3-4-14(13)22-7-5-15(23)21-22)20-17(25)9-11-2-1-6-19-16(24)8-11/h3-5,7,10-11H,1-2,6,8-9H2,(H,19,24)(H,20,25)(H,21,23)
InChIKeyDIIJGHDAVHOINS-UHFFFAOYSA-N
XLogP1.55
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxoazepan-4-yl)-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide
CID 167863574
2-cyclopentyl-N-[3-fluoro-4-(methylamino)phenyl]acetamide
CID 167956029
N-[2-(4-chlorophenyl)phenyl]-2-(2-oxoazepan-4-yl)acetamide
CID 166315665
2-cyclobutyl-N-(2,3-dihydro-1H-indol-5-yl)acetamide;hydrochloride
CID 119473771
2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide
CID 63931236
N-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide
CID 103805248
N-(3-fluoro-4-methylphenyl)-2-piperidin-4-ylacetamide
CID 24690499
2-cyclopentyl-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 65434302
2-(4-cyclohexylcyclohexyl)-N-(3,4-difluorophenyl)acetamide
CID 121325202
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)propanamide
CID 55820751
2-[1-[4-[(2-cyclohexylacetyl)amino]-2-fluorophenyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide
CID 16667140
2-cyclopentyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
CID 63901315

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(5-oxo-1H-pyrazol-2-yl)phenyl]-2-(2-oxoazepan-4-yl)acetamide?
The IUPAC name of N-[3-fluoro-4-(5-oxo-1H-pyrazol-2-yl)phenyl]-2-(2-oxoazepan-4-yl)acetamide (CID 167873572) is N-[3-fluoro-4-(5-oxo-1H-pyrazol-2-yl)phenyl]-2-(2-oxoazepan-4-yl)acetamide.
What is the SMILES notation for N-[3-fluoro-4-(5-oxo-1H-pyrazol-2-yl)phenyl]-2-(2-oxoazepan-4-yl)acetamide?
The canonical SMILES for N-[3-fluoro-4-(5-oxo-1H-pyrazol-2-yl)phenyl]-2-(2-oxoazepan-4-yl)acetamide is O=C1CC(CC(=O)Nc2ccc(-n3ccc(=O)[nH]3)c(F)c2)CCCN1.
What is the InChIKey of N-[3-fluoro-4-(5-oxo-1H-pyrazol-2-yl)phenyl]-2-(2-oxoazepan-4-yl)acetamide?
The InChIKey is DIIJGHDAVHOINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c18-13-10-12(3-4-14(13)22-7-5-15(23)21-22)20-17(25)9-11-2-1-6-19-16(24)8-11/h3-5,7,10-11H,1-2,6,8-9H2,(H,19,24)(H,20,25)(H,21,23).
What are the key properties of N-[3-fluoro-4-(5-oxo-1H-pyrazol-2-yl)phenyl]-2-(2-oxoazepan-4-yl)acetamide?
N-[3-fluoro-4-(5-oxo-1H-pyrazol-2-yl)phenyl]-2-(2-oxoazepan-4-yl)acetamide has a molecular weight of 346.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(5-oxo-1H-pyrazol-2-yl)phenyl]-2-(2-oxoazepan-4-yl)acetamide is sourced from PubChem (CID 167873572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).