2-(3-fluorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide

C18H17FN4O — CID 137425635

IUPAC2-(3-fluorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
SMILESCNC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1cccc(F)c1
InChIInChI=1S/C18H17FN4O/c1-20-17(13-3-2-4-15(19)9-13)18(24)23-16-7-5-12(6-8-16)14-10-21-22-11-14/h2-11,17,20H,1H3,(H,21,22)(H,23,24)
InChIKeyLCNLXRBYGNPIBP-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.12
Rot. Bonds5

About 2-(3-fluorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide

2-(3-fluorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide (PubChem CID 137425635) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
PubChem CID137425635
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name2-(3-fluorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
SMILESCNC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1cccc(F)c1
InChIInChI=1S/C18H17FN4O/c1-20-17(13-3-2-4-15(19)9-13)18(24)23-16-7-5-12(6-8-16)14-10-21-22-11-14/h2-11,17,20H,1H3,(H,21,22)(H,23,24)
InChIKeyLCNLXRBYGNPIBP-UHFFFAOYSA-N
XLogP3.12
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide (CID 137425635) is 2-(3-fluorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide is CNC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
The InChIKey is LCNLXRBYGNPIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-20-17(13-3-2-4-15(19)9-13)18(24)23-16-7-5-12(6-8-16)14-10-21-22-11-14/h2-11,17,20H,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-(3-fluorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
2-(3-fluorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide has a molecular weight of 324.36 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 137425635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).