N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide

C15H23FN4O — CID 111091948

IUPACN-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide
SMILESCCN(CC)/C(N)=N/CCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H23FN4O/c1-3-20(4-2)15(17)19-10-9-18-14(21)11-12-5-7-13(16)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H2,17,19)(H,18,21)
InChIKeyHOUHCSHKSUIQHY-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.14
Rot. Bonds7

About N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide

N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 111091948) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide
PubChem CID111091948
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC NameN-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide
SMILESCCN(CC)/C(N)=N/CCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H23FN4O/c1-3-20(4-2)15(17)19-10-9-18-14(21)11-12-5-7-13(16)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H2,17,19)(H,18,21)
InChIKeyHOUHCSHKSUIQHY-UHFFFAOYSA-N
XLogP1.14
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.14
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-fluorobenzamide
CID 111075663
N-[2-[[ethylamino-(prop-2-enylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
CID 136925711
2-[[amino(diethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111089290
6-(diaminomethylideneamino)-N-[4-[[2-(4-fluorophenyl)acetyl]amino]butyl]hexanamide
CID 10595892
N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
CID 111159266
N-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 110988552
N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 111091936
N-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide
CID 119112923
1,1-diethyl-2-[2-(4-fluorophenyl)sulfanylethyl]guanidine;hydroiodide
CID 111811915
N-(3-amino-3-sulfanylidenepropyl)-2-(4-fluorophenyl)acetamide
CID 62666877
N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
CID 111091935
2-(4-fluorophenyl)-N-[4-(4-fluorophenyl)butyl]acetamide
CID 110288734

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide (CID 111091948) is N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide is CCN(CC)/C(N)=N/CCNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is HOUHCSHKSUIQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-3-20(4-2)15(17)19-10-9-18-14(21)11-12-5-7-13(16)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H2,17,19)(H,18,21).
What are the key properties of N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide?
N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 294.37 g/mol, XLogP of 1.14, 7 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-(4-fluorophenyl)acetamide is sourced from PubChem (CID 111091948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).