N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-fluorobenzamide

C14H21FN4O — CID 111075663

IUPACN-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-fluorobenzamide
SMILESCCN(CC)/C(N)=N/CCNC(=O)c1ccccc1F
InChIInChI=1S/C14H21FN4O/c1-3-19(4-2)14(16)18-10-9-17-13(20)11-7-5-6-8-12(11)15/h5-8H,3-4,9-10H2,1-2H3,(H2,16,18)(H,17,20)
InChIKeyJUUVYVULFRDPED-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.21
Rot. Bonds6

About N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-fluorobenzamide

N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-fluorobenzamide (PubChem CID 111075663) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-fluorobenzamide
PubChem CID111075663
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC NameN-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-fluorobenzamide
SMILESCCN(CC)/C(N)=N/CCNC(=O)c1ccccc1F
InChIInChI=1S/C14H21FN4O/c1-3-19(4-2)14(16)18-10-9-17-13(20)11-7-5-6-8-12(11)15/h5-8H,3-4,9-10H2,1-2H3,(H2,16,18)(H,17,20)
InChIKeyJUUVYVULFRDPED-UHFFFAOYSA-N
XLogP1.21
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 111091948
N-[2-[[amino-(cyclopropylamino)methylidene]amino]ethyl]-2-fluorobenzamide;hydroiodide
CID 110917991
2-fluoro-N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]benzamide
CID 111075665
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide
CID 111075647
2-[ethyl-[2-[(2-fluorobenzoyl)amino]acetyl]amino]acetic acid
CID 61021393
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide;hydroiodide
CID 111075646
2-chloro-N-[2-(diaminomethylideneamino)ethyl]benzamide;hydroiodide
CID 110918726
N-(3-amino-3-hydroxyiminopropyl)-2-fluorobenzamide
CID 76952740
N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide
CID 47337929
N-[2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide
CID 110029755
N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-fluorobenzamide
CID 29369017
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-fluorobenzamide (CID 111075663) is N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-fluorobenzamide is CCN(CC)/C(N)=N/CCNC(=O)c1ccccc1F.
What is the InChIKey of N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-fluorobenzamide?
The InChIKey is JUUVYVULFRDPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c1-3-19(4-2)14(16)18-10-9-17-13(20)11-7-5-6-8-12(11)15/h5-8H,3-4,9-10H2,1-2H3,(H2,16,18)(H,17,20).
What are the key properties of N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-fluorobenzamide?
N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-fluorobenzamide has a molecular weight of 280.35 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-fluorobenzamide is sourced from PubChem (CID 111075663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).