N-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide

C11H15FN4O — CID 119112923

IUPACN-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide
SMILESNC(N)=NCCNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C11H15FN4O/c12-9-3-1-2-8(6-9)7-10(17)15-4-5-16-11(13)14/h1-3,6H,4-5,7H2,(H,15,17)(H4,13,14,16)
InChIKeyJGUNHIQWNPYGJS-UHFFFAOYSA-N
MW238.27 g/mol
LogP-0.24
Rot. Bonds5

About N-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide

N-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 119112923) has the molecular formula C11H15FN4O and a molecular weight of 238.27 g/mol. Its IUPAC name is N-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide
PubChem CID119112923
Molecular FormulaC11H15FN4O
Molecular Weight238.27 g/mol
Exact Mass238.12
IUPAC NameN-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide
SMILESNC(N)=NCCNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C11H15FN4O/c12-9-3-1-2-8(6-9)7-10(17)15-4-5-16-11(13)14/h1-3,6H,4-5,7H2,(H,15,17)(H4,13,14,16)
InChIKeyJGUNHIQWNPYGJS-UHFFFAOYSA-N
XLogP-0.24
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
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-(4-methylanilino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 111092034
N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide
CID 24690236
N-[2-[(N'-butylcarbamimidoyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 111092010
N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide
CID 111092007
N-[2-[[ethylamino-(propan-2-ylamino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 111125636
2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate
CID 151755820
N-[2-[[amino-(3-phenoxyanilino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide
CID 111599949
(2S)-2-[2-[[2-(3-fluorophenyl)acetyl]amino]ethylamino]-2-phenylacetamide
CID 94812771
2-(3-fluorophenyl)-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119501890
2-cyano-N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]acetamide
CID 108924377
N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 119506773
2-(3,4-dichlorophenyl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 9051916

Frequently Asked Questions

What is the IUPAC name of N-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide (CID 119112923) is N-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide is NC(N)=NCCNC(=O)Cc1cccc(F)c1.
What is the InChIKey of N-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is JGUNHIQWNPYGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O/c12-9-3-1-2-8(6-9)7-10(17)15-4-5-16-11(13)14/h1-3,6H,4-5,7H2,(H,15,17)(H4,13,14,16).
What are the key properties of N-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide?
N-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 238.27 g/mol, XLogP of -0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 119112923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).