N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluorophenyl)pyrazol-1-yl]pentanamide

C22H23F2N3O2 — CID 91069507

IUPACN-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluorophenyl)pyrazol-1-yl]pentanamide
SMILESCOc1ccc(F)cc1CNC(=O)CCC(C)n1cc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C22H23F2N3O2/c1-15(27-14-18(13-26-27)16-4-6-19(23)7-5-16)3-10-22(28)25-12-17-11-20(24)8-9-21(17)29-2/h4-9,11,13-15H,3,10,12H2,1-2H3,(H,25,28)
InChIKeyZFFMMWFNNQOJLO-UHFFFAOYSA-N
MW399.44 g/mol
LogP4.49
Rot. Bonds8

About N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluorophenyl)pyrazol-1-yl]pentanamide

N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluorophenyl)pyrazol-1-yl]pentanamide (PubChem CID 91069507) has the molecular formula C22H23F2N3O2 and a molecular weight of 399.44 g/mol. Its IUPAC name is N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluorophenyl)pyrazol-1-yl]pentanamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluorophenyl)pyrazol-1-yl]pentanamide
PubChem CID91069507
Molecular FormulaC22H23F2N3O2
Molecular Weight399.44 g/mol
Exact Mass399.18
IUPAC NameN-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluorophenyl)pyrazol-1-yl]pentanamide
SMILESCOc1ccc(F)cc1CNC(=O)CCC(C)n1cc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C22H23F2N3O2/c1-15(27-14-18(13-26-27)16-4-6-19(23)7-5-16)3-10-22(28)25-12-17-11-20(24)8-9-21(17)29-2/h4-9,11,13-15H,3,10,12H2,1-2H3,(H,25,28)
InChIKeyZFFMMWFNNQOJLO-UHFFFAOYSA-N
XLogP4.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-fluoro-2-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 94691306
N-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide
CID 110780143
3-chloro-N-[(5-fluoro-2-methoxyphenyl)methyl]propanamide
CID 115162483
N-[(5-fluoro-2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylpentanamide
CID 90687889
5-[(5-fluoro-2-methoxyphenyl)methylamino]-5-oxopentanoic acid
CID 94696058
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 82126824
4-[(5-fluoro-2-methoxyphenyl)methylamino]-2-methyl-4-oxobutanoic acid
CID 115165071
4-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpentanamide
CID 115157575
N-[(4-fluoro-2-methoxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide;formic acid
CID 154905412
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-oxopropanamide
CID 115175593
N-[[5-(4-fluorophenyl)-2-methoxyphenyl]methyl]propan-2-amine
CID 61025376

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluorophenyl)pyrazol-1-yl]pentanamide?
The IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluorophenyl)pyrazol-1-yl]pentanamide (CID 91069507) is N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluorophenyl)pyrazol-1-yl]pentanamide.
What is the SMILES notation for N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluorophenyl)pyrazol-1-yl]pentanamide?
The canonical SMILES for N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluorophenyl)pyrazol-1-yl]pentanamide is COc1ccc(F)cc1CNC(=O)CCC(C)n1cc(-c2ccc(F)cc2)cn1.
What is the InChIKey of N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluorophenyl)pyrazol-1-yl]pentanamide?
The InChIKey is ZFFMMWFNNQOJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O2/c1-15(27-14-18(13-26-27)16-4-6-19(23)7-5-16)3-10-22(28)25-12-17-11-20(24)8-9-21(17)29-2/h4-9,11,13-15H,3,10,12H2,1-2H3,(H,25,28).
What are the key properties of N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluorophenyl)pyrazol-1-yl]pentanamide?
N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluorophenyl)pyrazol-1-yl]pentanamide has a molecular weight of 399.44 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluorophenyl)pyrazol-1-yl]pentanamide is sourced from PubChem (CID 91069507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).