N-(4-chloro-2-fluorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)acetamide

C15H18ClFN4O — CID 50953077

IUPACN-(4-chloro-2-fluorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)acetamide
SMILESCC(CCn1cccn1)NCC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C15H18ClFN4O/c1-11(5-8-21-7-2-6-19-21)18-10-15(22)20-14-4-3-12(16)9-13(14)17/h2-4,6-7,9,11,18H,5,8,10H2,1H3,(H,20,22)
InChIKeyGFUHEEHSSNSGGU-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.68
Rot. Bonds7

About N-(4-chloro-2-fluorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)acetamide

N-(4-chloro-2-fluorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)acetamide (PubChem CID 50953077) has the molecular formula C15H18ClFN4O and a molecular weight of 324.79 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)acetamide
PubChem CID50953077
Molecular FormulaC15H18ClFN4O
Molecular Weight324.79 g/mol
Exact Mass324.12
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)acetamide
SMILESCC(CCn1cccn1)NCC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C15H18ClFN4O/c1-11(5-8-21-7-2-6-19-21)18-10-15(22)20-14-4-3-12(16)9-13(14)17/h2-4,6-7,9,11,18H,5,8,10H2,1H3,(H,20,22)
InChIKeyGFUHEEHSSNSGGU-UHFFFAOYSA-N
XLogP2.68
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)acetamide (CID 50953077) is N-(4-chloro-2-fluorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)acetamide is CC(CCn1cccn1)NCC(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)acetamide?
The InChIKey is GFUHEEHSSNSGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN4O/c1-11(5-8-21-7-2-6-19-21)18-10-15(22)20-14-4-3-12(16)9-13(14)17/h2-4,6-7,9,11,18H,5,8,10H2,1H3,(H,20,22).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)acetamide?
N-(4-chloro-2-fluorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)acetamide has a molecular weight of 324.79 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)acetamide is sourced from PubChem (CID 50953077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).