2-amino-4-fluoro-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide

C14H21FN4O — CID 79312535

IUPAC2-amino-4-fluoro-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide
SMILESCN(CC1CCCN1C)c1cc(C(N)=O)c(N)cc1F
InChIInChI=1S/C14H21FN4O/c1-18-5-3-4-9(18)8-19(2)13-6-10(14(17)20)12(16)7-11(13)15/h6-7,9H,3-5,8,16H2,1-2H3,(H2,17,20)
InChIKeyUTHIMEBUMLUGTO-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.04
Rot. Bonds4

About 2-amino-4-fluoro-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide

2-amino-4-fluoro-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide (PubChem CID 79312535) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-amino-4-fluoro-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide
PubChem CID79312535
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name2-amino-4-fluoro-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide
SMILESCN(CC1CCCN1C)c1cc(C(N)=O)c(N)cc1F
InChIInChI=1S/C14H21FN4O/c1-18-5-3-4-9(18)8-19(2)13-6-10(14(17)20)12(16)7-11(13)15/h6-7,9H,3-5,8,16H2,1-2H3,(H2,17,20)
InChIKeyUTHIMEBUMLUGTO-UHFFFAOYSA-N
XLogP1.04
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide?
The IUPAC name of 2-amino-4-fluoro-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide (CID 79312535) is 2-amino-4-fluoro-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide.
What is the SMILES notation for 2-amino-4-fluoro-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide?
The canonical SMILES for 2-amino-4-fluoro-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide is CN(CC1CCCN1C)c1cc(C(N)=O)c(N)cc1F.
What is the InChIKey of 2-amino-4-fluoro-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide?
The InChIKey is UTHIMEBUMLUGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c1-18-5-3-4-9(18)8-19(2)13-6-10(14(17)20)12(16)7-11(13)15/h6-7,9H,3-5,8,16H2,1-2H3,(H2,17,20).
What are the key properties of 2-amino-4-fluoro-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide?
2-amino-4-fluoro-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide has a molecular weight of 280.35 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide is sourced from PubChem (CID 79312535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).