N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]phenyl]-2-(furan-2-yl)acetamide

C23H21FN4O2 — CID 163286458

IUPACN-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]phenyl]-2-(furan-2-yl)acetamide
SMILESCn1cc(-c2ccc(CNc3ccc(F)c(NC(=O)Cc4ccco4)c3)cc2)cn1
InChIInChI=1S/C23H21FN4O2/c1-28-15-18(14-26-28)17-6-4-16(5-7-17)13-25-19-8-9-21(24)22(11-19)27-23(29)12-20-3-2-10-30-20/h2-11,14-15,25H,12-13H2,1H3,(H,27,29)
InChIKeyDKHHMFKYDCIQBG-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.61
Rot. Bonds7

About N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]phenyl]-2-(furan-2-yl)acetamide

N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]phenyl]-2-(furan-2-yl)acetamide (PubChem CID 163286458) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]phenyl]-2-(furan-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]phenyl]-2-(furan-2-yl)acetamide
PubChem CID163286458
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC NameN-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]phenyl]-2-(furan-2-yl)acetamide
SMILESCn1cc(-c2ccc(CNc3ccc(F)c(NC(=O)Cc4ccco4)c3)cc2)cn1
InChIInChI=1S/C23H21FN4O2/c1-28-15-18(14-26-28)17-6-4-16(5-7-17)13-25-19-8-9-21(24)22(11-19)27-23(29)12-20-3-2-10-30-20/h2-11,14-15,25H,12-13H2,1H3,(H,27,29)
InChIKeyDKHHMFKYDCIQBG-UHFFFAOYSA-N
XLogP4.61
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]phenyl]-2-(furan-2-yl)acetamide?
The IUPAC name of N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]phenyl]-2-(furan-2-yl)acetamide (CID 163286458) is N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]phenyl]-2-(furan-2-yl)acetamide.
What is the SMILES notation for N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]phenyl]-2-(furan-2-yl)acetamide?
The canonical SMILES for N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]phenyl]-2-(furan-2-yl)acetamide is Cn1cc(-c2ccc(CNc3ccc(F)c(NC(=O)Cc4ccco4)c3)cc2)cn1.
What is the InChIKey of N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]phenyl]-2-(furan-2-yl)acetamide?
The InChIKey is DKHHMFKYDCIQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-28-15-18(14-26-28)17-6-4-16(5-7-17)13-25-19-8-9-21(24)22(11-19)27-23(29)12-20-3-2-10-30-20/h2-11,14-15,25H,12-13H2,1H3,(H,27,29).
What are the key properties of N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]phenyl]-2-(furan-2-yl)acetamide?
N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]phenyl]-2-(furan-2-yl)acetamide has a molecular weight of 404.45 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]phenyl]-2-(furan-2-yl)acetamide is sourced from PubChem (CID 163286458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).