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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Related Compounds

CID 88978617
CID 88978617
1-amino-1-(4-chlorophenyl)-3-[5-fluoro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]propan-2-one
CID 58142647
(3S)-N-[2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 67237309
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 106312877
(2S)-2-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide
CID 175994897
4-(2-methoxy-4-methylphenyl)-1H-pyrazole
CID 137381850
(2S)-2-amino-N-(2,5-difluoro-4-trimethylsilylphenyl)-2-(4-methoxyphenyl)acetamide
CID 125465615
2-[[2-amino-2-(4-chlorophenyl)acetyl]amino]-N,N-dimethyl-5-(1H-pyrazol-4-yl)benzamide;bis(2,2,2-trifluoroacetic acid)
CID 117075666
2-amino-N-(4-bromo-2,6-difluorophenyl)-2-(4-methylphenyl)acetamide
CID 106312451
2-amino-N-(2-chloro-5-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 106312872
2-amino-N-(4-fluoro-2-iodophenyl)-2-(4-methylphenyl)acetamide
CID 106312524
2-amino-N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)acetamide
CID 106312006

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).