N-(4-fluoroanilino)-N-[2-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]formamide

C20H24F2N4O — CID 141137841

IUPACN-(4-fluoroanilino)-N-[2-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]formamide
SMILESCNC1CCN(Cc2ccc(F)c(N(C=O)Nc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C20H24F2N4O/c1-23-17-8-10-25(11-9-17)13-15-2-7-19(22)20(12-15)26(14-27)24-18-5-3-16(21)4-6-18/h2-7,12,14,17,23-24H,8-11,13H2,1H3
InChIKeyJPLFQAIFJZLFEE-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.14
Rot. Bonds7

About N-(4-fluoroanilino)-N-[2-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]formamide

N-(4-fluoroanilino)-N-[2-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]formamide (PubChem CID 141137841) has the molecular formula C20H24F2N4O and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(4-fluoroanilino)-N-[2-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]formamide.

Molecular Properties

Compound NameN-(4-fluoroanilino)-N-[2-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]formamide
PubChem CID141137841
Molecular FormulaC20H24F2N4O
Molecular Weight374.44 g/mol
Exact Mass374.19
IUPAC NameN-(4-fluoroanilino)-N-[2-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]formamide
SMILESCNC1CCN(Cc2ccc(F)c(N(C=O)Nc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C20H24F2N4O/c1-23-17-8-10-25(11-9-17)13-15-2-7-19(22)20(12-15)26(14-27)24-18-5-3-16(21)4-6-18/h2-7,12,14,17,23-24H,8-11,13H2,1H3
InChIKeyJPLFQAIFJZLFEE-UHFFFAOYSA-N
XLogP3.14
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoroanilino)-N-[2-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]formamide?
The IUPAC name of N-(4-fluoroanilino)-N-[2-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]formamide (CID 141137841) is N-(4-fluoroanilino)-N-[2-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]formamide.
What is the SMILES notation for N-(4-fluoroanilino)-N-[2-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]formamide?
The canonical SMILES for N-(4-fluoroanilino)-N-[2-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]formamide is CNC1CCN(Cc2ccc(F)c(N(C=O)Nc3ccc(F)cc3)c2)CC1.
What is the InChIKey of N-(4-fluoroanilino)-N-[2-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]formamide?
The InChIKey is JPLFQAIFJZLFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O/c1-23-17-8-10-25(11-9-17)13-15-2-7-19(22)20(12-15)26(14-27)24-18-5-3-16(21)4-6-18/h2-7,12,14,17,23-24H,8-11,13H2,1H3.
What are the key properties of N-(4-fluoroanilino)-N-[2-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]formamide?
N-(4-fluoroanilino)-N-[2-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]formamide has a molecular weight of 374.44 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoroanilino)-N-[2-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]formamide is sourced from PubChem (CID 141137841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).