2-amino-5-fluoro-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide

C19H20F2N4O — CID 146556790

IUPAC2-amino-5-fluoro-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide
SMILESNC(=O)c1cc(F)cc(/C=N/c2ccc(C3(F)CCCNC3)cc2)c1N
InChIInChI=1S/C19H20F2N4O/c20-14-8-12(17(22)16(9-14)18(23)26)10-25-15-4-2-13(3-5-15)19(21)6-1-7-24-11-19/h2-5,8-10,24H,1,6-7,11,22H2,(H2,23,26)/b25-10+
InChIKeyUQDYNCAMHULERE-KIBLKLHPSA-N
MW358.39 g/mol
LogP2.81
Rot. Bonds4

About 2-amino-5-fluoro-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide

2-amino-5-fluoro-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide (PubChem CID 146556790) has the molecular formula C19H20F2N4O and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-amino-5-fluoro-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide
PubChem CID146556790
Molecular FormulaC19H20F2N4O
Molecular Weight358.39 g/mol
Exact Mass358.16
IUPAC Name2-amino-5-fluoro-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide
SMILESNC(=O)c1cc(F)cc(/C=N/c2ccc(C3(F)CCCNC3)cc2)c1N
InChIInChI=1S/C19H20F2N4O/c20-14-8-12(17(22)16(9-14)18(23)26)10-25-15-4-2-13(3-5-15)19(21)6-1-7-24-11-19/h2-5,8-10,24H,1,6-7,11,22H2,(H2,23,26)/b25-10+
InChIKeyUQDYNCAMHULERE-KIBLKLHPSA-N
XLogP2.81
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide?
The IUPAC name of 2-amino-5-fluoro-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide (CID 146556790) is 2-amino-5-fluoro-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide.
What is the SMILES notation for 2-amino-5-fluoro-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide?
The canonical SMILES for 2-amino-5-fluoro-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide is NC(=O)c1cc(F)cc(/C=N/c2ccc(C3(F)CCCNC3)cc2)c1N.
What is the InChIKey of 2-amino-5-fluoro-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide?
The InChIKey is UQDYNCAMHULERE-KIBLKLHPSA-N. The full InChI is InChI=1S/C19H20F2N4O/c20-14-8-12(17(22)16(9-14)18(23)26)10-25-15-4-2-13(3-5-15)19(21)6-1-7-24-11-19/h2-5,8-10,24H,1,6-7,11,22H2,(H2,23,26)/b25-10+.
What are the key properties of 2-amino-5-fluoro-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide?
2-amino-5-fluoro-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide has a molecular weight of 358.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-3-[[4-(3-fluoropiperidin-3-yl)phenyl]iminomethyl]benzamide is sourced from PubChem (CID 146556790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).