2-amino-N-[2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-(4-methylphenyl)acetamide

C19H19FN4O2 — CID 70797024

IUPAC2-amino-N-[2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-(4-methylphenyl)acetamide
SMILESCOc1cc(NC(=O)C(N)c2ccc(C)cc2)c(F)cc1-c1cn[nH]c1
InChIInChI=1S/C19H19FN4O2/c1-11-3-5-12(6-4-11)18(21)19(25)24-16-8-17(26-2)14(7-15(16)20)13-9-22-23-10-13/h3-10,18H,21H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyATNVPXQWYOWTCE-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.17
Rot. Bonds5

About 2-amino-N-[2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-(4-methylphenyl)acetamide

2-amino-N-[2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-(4-methylphenyl)acetamide (PubChem CID 70797024) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-amino-N-[2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-(4-methylphenyl)acetamide
PubChem CID70797024
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name2-amino-N-[2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-(4-methylphenyl)acetamide
SMILESCOc1cc(NC(=O)C(N)c2ccc(C)cc2)c(F)cc1-c1cn[nH]c1
InChIInChI=1S/C19H19FN4O2/c1-11-3-5-12(6-4-11)18(21)19(25)24-16-8-17(26-2)14(7-15(16)20)13-9-22-23-10-13/h3-10,18H,21H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyATNVPXQWYOWTCE-UHFFFAOYSA-N
XLogP3.17
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-[2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-(4-methylphenyl)acetamide (CID 70797024) is 2-amino-N-[2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-[2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-[2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-(4-methylphenyl)acetamide is COc1cc(NC(=O)C(N)c2ccc(C)cc2)c(F)cc1-c1cn[nH]c1.
What is the InChIKey of 2-amino-N-[2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-(4-methylphenyl)acetamide?
The InChIKey is ATNVPXQWYOWTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-11-3-5-12(6-4-11)18(21)19(25)24-16-8-17(26-2)14(7-15(16)20)13-9-22-23-10-13/h3-10,18H,21H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 2-amino-N-[2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-(4-methylphenyl)acetamide?
2-amino-N-[2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-(4-methylphenyl)acetamide has a molecular weight of 354.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 70797024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).